D-甘油-D-古洛庚酸

Description

D-glycero-D-gulo-heptonic acid · CAS 87-74-1 · C7H14O8. UNII B1F50160Z2.

Identification

CAS Registry Number	87-74-1
PubChem CID	25588
Molecular formula	C7H14O8
IUPAC name	(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid
UNII (FDA)	B1F50160Z2

Computed Descriptors

Molecular Weight	226.18
XLogP3	-4
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	226.06886740
Monoisotopic Mass	226.06886740
Topological Polar Surface Area	159
Heavy Atom Count	15
Formal Charge	0

Physical description & handling notes

• 142.34 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 150.96 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 143.28 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Synonyms

Glucoheptonic acid; Gluceptate; alpha-Glucoheptonic acid; D-glycero-D-gulo-Heptonic acid; 87-74-1; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid; B1F50160Z2; DTXSID3048077; CHEBI:67270; RefChem:663103; DTXCID501031441; 201-769-7; 245-601-0; Gluceptate [INN]; UNII-B1F50160Z2; calcium-gluceptate

Frequently Asked Questions

What are the CAS number and molecular formula of D-glycero-D-gulo-heptonic acid?

CAS 87-74-1; molecular formula C7H14O8; molecular weight — g/mol.

What other names is D-glycero-D-gulo-heptonic acid known by?

Glucoheptonic acid, Gluceptate, alpha-Glucoheptonic acid, D-glycero-D-gulo-Heptonic acid, 87-74-1, (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.