(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

• ChemBase ID: 110886
• Molecular Formular: C6H10O8
• Molecular Mass: 210.1388
• Monoisotopic Mass: 210.03756728
• SMILES: O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O
• Canonical SMILES: O[C@H]([C@H](C(=O)O)O)[C@H]([C@@H](C(=O)O)O)O
• 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-
• InChIKey: DSLZVSRJTYRBFB-DUHBMQHGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
• IUPAC Traditional name: glucaric acid; mucin
• Synonyms: MUCIC ACID; MTPA; Tetrahydroxyhexanedioic acid; Galactaric acid; Saccharolactic acid; Tetrahydroxyadipic acid; Mucic acid; (2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioic acid; 半乳糖二酸; 四羟基己二酸; 糖乳酸; 粘酸

Database IDs

• CAS Number: 526-99-8
• EC Number: 208-404-0
• MDL Number: MFCD00004239
• Beilstein Number: 1728117
• Merck Index: 144331
• PubChem SID: 24897299; 162096522
• PubChem CID: 3037582

CALCULATED PROPERTIES

• Acid pKa: 2.8286042
• H Acceptors: 8
• H Donor: 6
• LogD (pH = 5.5): -7.6667438
• LogD (pH = 7.4): -9.969251
• Log P: -3.0894697
• Molar Refractivity: 38.1384 cm^3
• Polarizability: 15.89008 Å^3
• Polar Surface Area: 155.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 220-225 °C (dec.)(lit.); ca 210°C dec.

Safety Information

• RTECS: LW5180000
• German water hazard class: 2
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: HOOC(CHOH)4COOH

DETAILS

MP Biomedicals - 05216813

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M89617

Packaging
100, 500 g in poly bottle