UCSF

ZINC02041302

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 12 Yes

Other Names:

(2R,3R,4R,5R)-1,2,3,4,5,6-Hexanehexol

(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol; (2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol; 1,2,3,4,5,6-Hexanehexol; Cordycepate; Cordycepic acid; D-(-)-Mannitol; D-mannite; D-mannitol; D(-)-Mannitol; Diosmol; Hexahydroxyhexane; Hexanhexol; Hexitol; Invenex; Isotol

(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol

(L)-Mannitol

1,2,3,4,5,6-Hexanehexol; BRN 1721898; C6H14O6; CCRIS 369; D-Mannitol; D-mannite; EINECS 200-711-8; HSDB 714; Invenex; Isotol; LS-1588; MANNITOL; MANNITOL 10%; MANNITOL 10% IN PLASTIC CONTAINER; MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER; MANNITOL 15%

1,2,3,4,5,6-Hexanehexol; Cordycepate; Cordycepic acid; D-Mannitol; Diosmol; Hexahydroxyhexane; Hexanhexol; Invenex; Isotol; Manicol; Maniton s; Maniton-s; Manna sugar; Mannazucker; Mannidex; Mannigen; Mannistol; Mannit; Mannit p; Mannite; Mannitol; Mannog

1,2,3,4,5,6-Hexanehexol;Cordycepate;Cordycepic acid;D-Mannitol;Diosmol;Hexahydroxyhexane;Hexanhexol;Invenex;Isotol;Manicol;Maniton S;Maniton-S;Manna sugar;Mannazucker;Mannidex;Mannigen;Mannistol;Mannit;Mannit p;Mannite;Mannitol;Mannogem 2080;Marine crysta

1,3-Benzenediboronic acid

123897-58-5

133-43-7

15719_ALDRICH

15719_RIEDEL

33440_RIEDEL

33440_SIGMA

36413-61-3

4-01-00-02841 (Beilstein Handbook Reference)

5149-40-6

63559_FLUKA

63559_SIGMA

63560_FLUKA

63565_FLUKA

63565_SIGMA

69-65-8

69-65-8; C00392; D-Mannitol; Mannitol

69-65-8; D-Mannitol (JP16); D00062; Mannitol (USP); Osmitrol (TN); Tobrex (TN)

69-65-8; D-mannitol; mannitol; mitobronitol

75398-80-0

85085-15-0

87-78-5

AB1002081

AC-12776

AC1L1M49

AC1Q28E5

AI3-19511

AI3-19511; C6H14O6; EINECS 201-770-2; Hexahydroxyhexane; LS-89250; Mannidex 16700; Mannitol; NSC 9256; cpd without stereochemical designation

Alexitol Sodium (BAN

Ambap69-65-8

AR-1J3861

Aridol

bmse000099

BRN 1721898

BRN 1721898; Cordycepic acid; D-Mannitol; Diosmol; Invenex; Isotol; MANNITOL; Maniton-S; Manna sugar; Mannazucker; Mannidex; Mannigen; Mannistol; Mannit; Mannite; Mannitol (VAN); Mannitol [USAN]; Mannitol, D-; Mannogem 2080; Marine Crystal; NCI-C50362; Os

Bronchitol

C00392

C6H14O6

CCRIS 369

CHEBI:130180; CHEBI:44192; CHEBI:12996; CHEBI:6686; CHEBI:21050

CHEBI:16899

CHEMBL689

CID6251

Cordycepic acid

cpd without stereochemical designation

D-(-)-Mannitol

D-(-)-Mannitol; D-mannitol; Diosmol; Osmosal; manna sugar; mannite

D-Glucitol

D-mannite

D-Mannitol (JAN); Mannitol (FDA

D-Mannitol (JP15)

D-Mannitol (Osmitrol)

d-mannitol extra pure

D-Mannitol, 98+%

D-Mannitol, 99%

D-Mannitol, ACS

D-Mannitol, ACS reagent

D-Sorbitol

D-Sorbitol, 70%+

D-Sorbitol, 97%

D-[UL-13C6]mannitol

D00062

D008353

DAP000874

Diacetone-D-Mannitol

Diosmol

DL-Mannitol

Dulcite

Dulcitol

ED1D1E61-FEFB-430A-AFDC-D1F4A957FC3D

EINECS 200-711-8

EINECS 201-770-2

Galactitol

Galactitol;Dulcitol

Hexahydric alcohol; Hexitol; LS-75644

Hexahydroxyhexane

hexane-1,2,3,4,5,6-hexol

Hexanhexol

hexitol

HSDB 714

INN

Invenex

Isotol

L-Altritol

L-Iditol

L-Iditol, 98+%

L-MANNITOL

L-Sorbitol

L-Talitol

LS-1588

LS-188010; MANNITOL; SORBITOL; SORBITOL-MANNITOL

LS-89250

M0044

M1902_SIGMA

M4125_SIAL

M8429_SIAL

M9546_SIAL

M9647_SIAL

Manicol

manita

Maniton-S

Manna sugar

Mannazucker

Mannidex

Mannidex 16700

Mannigen

Mannistol

Mannit

Mannite

Mannitol

Mannitol (FDA

Mannitol (USP)

Mannitol (VAN)

Mannitol 10%

Mannitol 10% In Plastic Container

MANNITOL 10% W/ DEXTROSE 5% IN DISTILLED WATER

Mannitol 15%

Mannitol 15% In Plastic Container

MANNITOL 15% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.45%

Mannitol 20%

Mannitol 20% In Plastic Container

Mannitol 25%

Mannitol 5%

Mannitol 5% In Plastic Container

MANNITOL 5% W/ DEXTROSE 5% IN SODIUM CHLORIDE 0.12%

Mannitol BP

Mannitol [USAN]

Mannitol, D-

Mannitol, Osmitrol, Osmofundin

Mannogem 2080

Marine Crystal

MFCD00004708

MFCD00064287

MFCD00064289

MFCD00064875

MFCD00065361

MI)

MLS001335977

MLS001335978

MolPort-003-927-039

MTL

Mushroom sugar

NCGC00164246-01

NCI-C50362

NSC 407017

NSC 9256

Osmitrol

Osmitrol (TN)

Osmitrol 10% In Water

OSMITROL 10% IN WATER IN PLASTIC CONTAINER

Osmitrol 15% In Water

OSMITROL 15% IN WATER IN PLASTIC CONTAINER

Osmitrol 20% In Water

OSMITROL 20% IN WATER IN PLASTIC CONTAINER

Osmitrol 5% In Water

OSMITROL 5% IN WATER IN PLASTIC CONTAINER

Osmofundin

Osmosal

Resectisol

Resectisol In Plastic Container

SDM No. 35

SDM-25

SMR000857324

sorbitol

Sorbitol,crystal

Sorbitol-Mannitol

SORBITOL-MANNITOL IN PLASTIC CONTAINER

TL806434

UNII-3OWL53L36A

USP)

USP); D-Mannitol (JAN)

ZINC02041302

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.09 -13.27 -11.12 6 6 0 121 182.172 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 165 - 170 Acros Organics
Melting_Point 165-167? Alfa-Aesar
Melting_Point 165-167° Alfa-Aesar
MP 167 - 170 Enamine Building Blocks
Melting_Point 167-169? Alfa-Aesar
Melting_Point 167-169° Alfa-Aesar
MP 167-170° Oakwood Chemical
MP 167...170 Enamine Building Blocks
MP 168 TCI
ALOGPS_SOLUBILITY 2.29e+02 g/l DrugBank-approved
Boiling_Point 290-295?/3.5mm Alfa-Aesar
Boiling_Point 290-295°/3.5mm Alfa-Aesar
Mp [°C] 74 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Mp [°C] 95 - 99 Acros Organics
Purity 95% Fluorochem
Purity 98% APIChem
UniProt Database Links ABI4_ARATH; AFR_ENSAD; AFR_RHIME; ALDO3_ARATH; AOX1C_ARATH; CINV1_ARATH; CRPM4_ARATH; DALD_KLEPN; DALD_RALSO; DALD_YERPE; DHN1_AVIMR; DSF1_YEAST; G6PD_PSEAE; GAPN_APIGR; GG1_ARATH; INV1_ARATH; INV2_ARATH; LAD_HYPJE; LAD_NEUCR; M1PAS_EIMTE; M2DH_ASPCL; M2D ChEBI
PUBCHEM_PATENT_ID EP0343217A1; EP0343217B1; EP0590132A1; EP0841940A1; EP0952772A1; US5004681; US5192553; US5700691; US5788963; US5800812; US5888499; US5955357; US6117424; US6146623; WO1993018648A1; WO1994025571A1; WO1997004802A1; WO1997009885A1; WO1998041220A1; WO199906002 IBM Patent Data
Patent Database Links EP0872236; EP0978281; EP1120119; EP1138333; EP1151994; EP1219604; EP1266654; EP1266664; EP1308171; EP1310252; EP1310254; EP1366760; EP1374871; EP1498114; EP1502587; EP1502595; EP1504673; EP1504753; EP1504761; EP1506771; EP1508331; EP1512394; EP1522539; EP ChEBI
Target Others Selleck Chemicals
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
S phrase S8: Keep container dry. Acros Organics
Target Tumor necrosis factor ligand superfamily member 11(O14788)&Tumor necrosis factor receptor superfamily member 11B(O00300)&Toll-like receptor 2(O60603)&Protein-glutamine gamma-glutamyltransferase K(P22735)&6-phosphogluconate dehydrogenase, decarboxylating(P Herbal Ingredients Targets

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )