UCSF

ZINC17860482

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 12 Yes

Popular Name: ASCORBIC ACID ASCORBIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1129294-89-8 , 134-03-2 , 50-81-7 , 5743-28-2 , 62624-30-0 , 63524-04-9 , 6381-77-7 , 7378-23-6 , 89-65-6 , [15431-40-0] , [7378-23-6] , [89-65-6]

Other Names:

(+)-ascorbate; (+)-ascorbic acid; (+)-Sodium L-ascorbate; 3-Keto-L-gulofuranolactone; 3-Oxo-L-gulofuranolactone; Adenex; Allercorb; Antiscorbic vitamin; Antiscorbutic vitamin; Arco-cee; Ascoltin; Ascor-B.I.D.; Ascorb; Ascorbajen; Ascorbate; Ascorbic acid

(+)-Magnesium L-ascorbate

134-03-2; Cevalin (TN); D05853; Sodium ascorbate (USP/INN)

2,3-Didehydro-D-erythro-hexono-1,4-lactone; 3-Keto-D-erythro-hexonic acid gamma-lactone; 3-Oxohexonic acid lactone, D-erythro-; Araboascorbic acid; BRN 0084271; C6H8O6; CCRIS 6568; D-ASCORBIC ACID, ISO; D-Araboascorbic acid; D-Erythorbic acid; D-Erythro-h

2-keto-L-Gulonolactone

5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2(5H)-furanone

5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one

5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

50-81-7; Ascorbic acid; Prestwick_683

89-65-6; C20364; Erythorbic acid; Isoascorbic acid

Ark 62-62; DAP-1; LS-117529; Platinum, bis(L-ascorbato-O3)(1,2-cyclohexanediamine-N,N')-, (SP-4-2)-; cis-Bisascorbato(racemic-1,2-diaminocyclohexane)platinum(II) hydrate

Ascorbic acid calcium salt dihydrate

Ascorbic acid, compd. with 2-aminoethanethiol; Ascorbic acid, compd. with 2-aminoethanethiol, L-; Ascorbic acid, salt with 2-aminoethanethiol, L-; Ethanethiol, 2-amino-, compd. with L-ascorbic acid; L-Ascorbic acid, compd. with 2-aminoethanethiol (1:1); L

Ascorbic acid;Vitamin C

CENOLATE

CPD-318; ascorbyl radical; monodehydroascorbate; monodehydroascorbic acid; semidehydroascorbate; semidehydroascorbic acid

D(-)-Isoascorbic acid, 98%

D-(+)-Isoascorbic acid sodium salt

D-(+)-Isoascorbic acid sodium salt monohydrate

D-(+)-Isoascorbic acid sodium salt monohydrate, 99%

D-(+)-Isoascorbic acid sodium salt, 99%

D-(-)-Araboascorbic acid

D-(-)-Isoascorbic acid

D-(-)-Isoascorbic acid, 99%

D-araboascorbic acid

D-ascorbic acid

D-erythro-Hex-2-enonic acid ?-lactone monosodium salt monohydrate

D-erythro-Hex-2-enonic acid gamma-lactone monosodium salt monohydrate

D-erythro-Hex-2-enonic acid ^y-lactone monosodium salt

D-erythro-Hex-2-enonic acid ^y-lactone monosodium salt monohydrate

D-Isoacordic acid

D-Isoascorbic acid

D-lyxoascorbic acid; D-threo-hex-2-enoic acid gamma-lactone; D-xyloascorbic acid

Erythorbic acid

INN

l-(+)-ascorbicacidcalciumsaltdihydrate

LS-190060

Magnesium ascorbate

MFCD00005378

MFCD00066707

MFCD00067298

MFCD00137683

MFCD03788863

Sodium Ascorbate (FDA

Sodium D-isoascorbate monohydrate

Sodium erythorbate

Sodium erythorbate monohydrate

Sodium isoascorbate monohydrate

USP)

vitamin c

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) -0.93 -9.04 -49.11 4 6 -1 117 175.116 2 ↓
Hi High (pH 8-9.5) -4.12 -4.63 -15.58 2 6 0 107 175.116 2 ↓
Hi High (pH 8-9.5) -4.12 -4.85 -15.15 2 6 0 107 175.116 2 ↓
Hi High (pH 8-9.5) -0.93 -8.03 -140.15 3 6 -2 120 174.108 2 ↓
Mid Mid (pH 6-8) -4.12 -5.53 -10.94 3 6 0 104 176.124 2 ↓
Mid Mid (pH 6-8) -2.69 -6.42 -12.19 3 6 0 110 175.116 2 ↓
Mid Mid (pH 6-8) -2.12 -8.67 -11.26 4 6 0 107 176.124 2 ↓
Mid Mid (pH 6-8) -4.12 -5.3 -11.31 3 6 0 104 176.124 2 ↓
Mid Mid (pH 6-8) -2.12 -8.67 -10.69 4 6 0 107 176.124 2 ↓
Lo Low (pH 4.5-6) -4.12 -6.02 -10.85 3 6 0 104 176.124 2 ↓
Lo Low (pH 4.5-6) -4.12 -5.56 -13.52 3 6 0 104 176.124 2 ↓
Lo Low (pH 4.5-6) -4.12 -6.37 -12.22 3 6 0 104 176.124 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 167 - 172 Acros Organics
Melting_Point 169-172? dec. Alfa-Aesar
Melting_Point 169-172° dec. Alfa-Aesar
MP 192 - 196 Enamine Building Blocks
MP 193 - 195 Enamine Building Blocks
MP 193...195 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% APIChem
Therapy antiscorbutic, antiviral SMDC Pharmakon
Target Cyclin-A2(P20248)&Cell division protein kinase 2(P24941)&Cell division protein kinase 4(P11802)&G1/S-specific cyclin-D1(P24385)&Serine/threonine-protein kinase Sgk1(O00141)&Plasminogen activator inhibitor 1(P05121)&Regucalcin(Q15493)&Transforming growth f Herbal Ingredients Targets
PUBCHEM_PATENT_ID EP0686203A1; US5750872; US5849290; WO1987006128A1; WO1996031115A1; WO1999057986A1; WO1999064612A1; WO2000065039A2 IBM Patent Data
Patent Database Links EP1688130 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.