酮脱氧壬酮酸

Description

Ketodeoxynonulonsonic Acid · CAS 31103-86-3 · C6H12O6. UNII HMS2236J04. Collision Cross Section: 141.6 Ų [M+Na]+.

Identification

CAS Registry Number	31103-86-3
PubChem CID	18950
Molecular formula	C6H12O6
IUPAC name	(3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
UNII (FDA)	HMS2236J04

Computed Descriptors

Molecular Weight	180.16
XLogP3	-2.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	180.06338810
Monoisotopic Mass	180.06338810
Topological Polar Surface Area	110
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	141.6 Ų [M+Na]+

Physical description & handling notes

• 140.8 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
• 141.82 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
• 141.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 138 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetic ingredients (Mannose) -> CIR (Cosmetic Ingredient Review)

Synonyms

D-Mannopyranose; mannopyranose; mannopyranoside; d-mannopyranoside; D-Man; D-Mannose; Man (SNFG); Mannose; SNFG:Man; 530-26-7; D-(+)-Mannose; Seminose; (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; D(+)-Mannose; CHEBI:4208; MFCD00064122

Frequently Asked Questions

What are the CAS number and molecular formula of Ketodeoxynonulonsonic Acid?

CAS 31103-86-3; molecular formula C6H12O6; molecular weight — g/mol.

What other names is Ketodeoxynonulonsonic Acid known by?

D-Mannopyranose, mannopyranose, mannopyranoside, d-mannopyranoside, D-Man, D-Mannose.

What is the regulatory status of Ketodeoxynonulonsonic Acid?

Documented regulatory listings: CIR / INCI: Cosmetic ingredients (Mannose) -> CIR (Cosmetic Ingredient Review).

What are the key physical properties of Ketodeoxynonulonsonic Acid?

Collision Cross Section: 141.6 Ų [M+Na]+.

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.