CAS 25525-21-7 Glucaric Acid (HCID 33037)

Overview

D-glucaric acid is the D-enantiomer of glucaric acid. It has a role as an antineoplastic agent. It is a conjugate acid of a D-glucarate(1-). It is an enantiomer of a L-glucaric acid.

Names & identifiers

Preferred name: Glucaric Acid
IUPAC: (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
English name: D-Glucaric acid
Molecular formula: C6H10O8
Molecular weight: 210.14

Names & synonyms

GLUCARIC ACIDGlucosaccharic acid(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid25525-21-7QLZ991V4A2DTXSID501340165Acid, SaccharicD Glucaric AcidL Gularic AcidD Saccharic AcidLevo Gularic AcidRefChem:663092

Show more names

CALCIUM D-SACCHARATEGlucarateSACCARIC ACIDD-SACCHARIC ACID CALCIUM SALTD-glucaricaciSACCHARIC ACID CAD-CALCIUM SACCHARATED-Glucosaccharicacid

GlyTouCan:G37845XBCHEBI:17301DTXCID201769580G37845XB201-768-1D-glucaric acidSaccharic acid87-73-0

Database identifiers

CAS: 25525-21-7、5793-89-5、87-73-0
PubChem CID: 33037
DTXSID: DTXSID501340165
ChEMBL: CHEMBL1794737
ChEBI: CHEBI:16002
UNII: QLZ991V4A2
EC Number: 201-768-1、611-592-0
Nikkaji: J9.318A

Properties

Computed structural properties

XLogP: -2.5
Topological polar surface area: 156 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 202

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]

CosmeticsHair conditioning

Solubility912 mg/mL

Physical DescriptionSolid

Collision Cross Section · 3 items

148.8 Å² [M+K]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

130.92 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

135.7 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

Physicochemical properties

Melting point: 125 · 125-126°
alpha: 19 · D19 +6.86° +20.60° (H2O)
Boiling point: 269.65 °C · 269.65°C (rough estimate)
Density: 1.5274 · 1.5274 (rough estimate)
refractive index: 1.58 · 1.5800 (estimate)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Easily soluble (water, ethanol)
form: Solid
pka: 2.99 · 2.99±0.35(Predicted)
color: White to off-white
optical activity: 7 · +7 → +21
Cosmetics Ingredients Functions: HAIR CONDITIONING
InChI: InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2-,3-,4+/m0/s1
InChIKey: DSLZVSRJTYRBFB-LLEIAEIESA-N
SMILES: C(O)(=O)[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O)O)O)O
FDA UNII: 991 V4A2 · QLZ991V4A2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H227
Precautionary statements: 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

EPA Safer ChemicalChemical: D-Glucaric acid

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (97.4%)

Flam. Sol. 2 (100%)

Safety data

wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H227
Precautionary statements: P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235

Chemistry & industry

Pharmacology

Tissue LocationsLiver

Cellular LocationsMitochondria

Uses & manufacturing

Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Cosmetics -> Hair conditioning

Applications

DescriptionSaccharic acid, also called glucaric acid, is a chemical compound with the formulaC6H10O8. It is derived by oxidizing a sugar such as glucose with nitric acid. The salts of saccharic acid are called saccharates.

UsesPharmaceutic aid (stabilizer).

Upstream & downstream products

Downstream products

Suppliers100 total

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

广州朗欧生物科技有限公司15876533741 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

Additional notes

DefinitionChEBI: D-glucaric acid is the D-enantiomer of glucaric acid. It has a role as an antineoplastic agent. It is a conjugate acid of a D-glucarate(1-). It is an enantiomer of a L-glucaric acid.