UCSF

ZINC00000036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 11 Yes

Popular Name: (S)-(+)-Mandelic acid (S)-(+)-Mandelic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 134-95-2 , 17199-29-0 , 587-23-5 , 611-71-2 , 611-72-3 , 90-64-2 , [17199-29-0]

Other Names:

"(S)-(+)-Mandelic acid, 99%"

"DL-Mandelic acid, 99%"

(+)-L-MANDELIC ACID

(+/-)-alpha-Hydroxyphenylacetic acid

(+/-)-Mandelic acid

(+/-)-Mandelic acid, 99%

(2S)-2-hydroxy-2-phenylacetic acid

(R)-a-HYDROXYPHENYLACETIC ACID; [611-71-2]

(R)-Mandelic Acid

(RS)-Mandelate;(RS)-Mandelic acid;2-Hydroxy-2-phenylacetate;2-Hydroxy-2-phenylacetic acid;2-Hydroxy-2-phenylethanoate;2-Hydroxy-2-phenylethanoic acid;2-Phenyl-2-hydroxyacetate;2-Phenyl-2-hydroxyacetic acid;2-Phenylglycolate;2-Phenylglycolic acid;a-Hydroxy

(S)-(+)-?-Hydroxyphenylacetic acid

(S)-(+)-alpha-Hydroxyphenylacetic acid

(S)-(+)-Mandelic acid, 98% e.e.

(S)-(+)-Mandelic acid, 99+%

(S)-(+)-^a-Hydroxyphenylacetic acid

(S)-2-Hydroxy-2-phenylacetate; (S)-2-Hydroxy-2-phenylacetic acid; (S)-Mandelate; (S)-Mandelic acid; 17199-29-0; C01984

(S)-2-hydroxy-2-phenylacetate; (S)-2-hydroxy-2-phenylacetic acid; (S)-mandelate; (S)-mandelic acid; 90-64-2; CPD-122

(S)-2-Hydroxy-2-phenylacetic acid

(S)-Alfa-hydroxyphenylacetic acid

(S)-alpha-Hydroxyphenylacetic acid

(S)-Hydroxy-phenyl-acetic acid

(S)-mandelate

-Mandelicacid

2-hydroxy-2-(4-hydroxyphenyl)acetate; alpha-hydroxybenzeneacetate; alpha-hydroxybenzeneacetic acid, ion(1-); mandelate; mandelate ion

2-hydroxy-2-phenylacetic acid

2-Hydroxy-2-PhenylaceticAcid

587-23-5; D00856; Hexamine mandelate (JAN); Mandelamine (TN); Methenamine mandelate (USP)

benzeneacetic acid, a-hydroxy-

Bis(D,L-mandelato)copper; Bis(alpha-hydroxybenzeneacetato-O,O(alpha))copper; Copper mandelate; Copper, bis(D,L-mandelato)-; Copper, bis(alpha-hydroxybenzeneacetato-O,O(alpha))-; LS-54849

Calcium mandelate

CALCIUMMANDELATE

CHEBI:11034; CHEBI:18786; CHEBI:11067

D-a-Hydroxy-Phenylacetic Acid [611-71-2]; (D(-)-Mandelic acid, R-(-)-Mandelic acid)

Dl-mandelic acid

hydroxy(phenyl)acetic acid

L-(+)-Mandelic Acid

L-(+)-Mandelic acid calcium salt; LS-89060; Mandelic acid, calcium salt (2:1), L-(+)-

L-mandelic acid

mandelate

Mandelic acid

Mandelic Acid (USP)

Mandelic Acid (USP); Ammonium Mandelate (MI

Mandelic Acid (USP); Calcium Mandelate (USP); Ammonium Mandelate (MI

MANDELICACI

Methenamine mandelate

MFCD00004495

MFCD00035635

MFCD00064250

NA

R-(-)-Mandelic Acid

S-(+) MANDELIC ACID

S-(+)-Mandelic acid

USP)

USP); Calcium Mandelate (USP)

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) 0.37 3.51 -45.3 1 3 -1 60 151.141 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.68e+01 g/l DrugBank-experimental
Melting_Point 118-121? Alfa-Aesar
Melting_Point 118-121° Alfa-Aesar
MP 120-122° Oakwood Chemical
MP 121 TCI
Mp [°C] 130 - 135 Acros Organics
MP 131 - 134 Enamine Building Blocks
MP 131-133 °C(lit.) Indofine
Melting_Point 131-135? Alfa-Aesar
Melting_Point 131-135° Alfa-Aesar
MP 131...134 Enamine Building Blocks
MP 132-133o C Indofine
MP 134 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
UniProt Database Links AEEP_BACSU; AEEP_CLOAB; AEEP_ECOLI; AEEP_THEMA; CATB1_ACILW; CATB2_ACILW; CATB_ACIAD; CATB_PSEPU; CATB_RHOOP; CBNB_CUPNE; CLCB_PSEPU; CYBL_RHOGR; DGOD1_ECOSM; DGOD2_ECOSM; DGOD_CROS8; DGOD_ECO24; DGOD_ECO45; DGOD_ECO55; DGOD_ECO7I; DGOD_ECO81; DGOD_ECO8A ChEBI
UniProt Database Links CYBL_RHOGR; MANR_PSEPU; MDLB_PSEPU ChEBI
PUBCHEM_PATENT_ID EP0042026A1; US4020057; US4131734; US4218564; US4236001; US4371720; US4508723; US4692442; US4952690 IBM Patent Data
Patent Database Links EP1632471; EP1757284; EP1842539; EP1882691; EP1892236; US2001011074; US2002119965; US2002183281; US2004010038; US2004180857; US2004229869; US2005054632; US2005070597; US2005085533; US2005171117; US2006229280; US2007185155; US2007232599; US2007238751; US20 ChEBI
Patent Database Links EP1632471; US2002183281; US2004180857 ChEBI
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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