(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanal

• ChemBase ID: 108568
• Molecular Formular: C7H14O7
• Molecular Mass: 210.18186
• Monoisotopic Mass: 210.07395279
• SMILES: OC[C@H]([C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O
• Canonical SMILES: OC[C@H]([C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O
• InChI: InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4+,5-,6+,7+/m0/s1
• InChIKey: YPZMPEPLWKRVLD-PJEQPVAWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanal
• IUPAC Traditional name: (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanal
• Synonyms: D-Glycero-D-gulo-heptose; D-Glucoheptose; D-α-GLUCOHEPTOSE

Database IDs

• CAS Number: 62475-58-5; 6946-18-5
• MDL Number: MFCD00006968
• PubChem SID: 162095505; 24895167
• PubChem CID: 76599

CALCULATED PROPERTIES

• Acid pKa: 11.774828
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -4.1986957
• LogD (pH = 7.4): -4.198714
• Log P: -4.1986957
• Molar Refractivity: 43.3081 cm^3
• Polarizability: 17.76673 Å^3
• Polar Surface Area: 138.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%

DETAILS

MP Biomedicals - 05207893

MP Biomedicals Rare Chemical collection