(3,4,5-Triacetyloxy-6-aminooxan-2-yl)methyl acetate

HCID 321468
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Basic information

CAS
51642-81-0
Standard SMILES
CC(=O)OCC1OC(N)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
InChIKey
LMVYBLMOENOGGK-UHFFFAOYSA-N
Molecular formula
C14H21NO9
Average molar mass
347.32 g/mol
Monoisotopic mass
347.12163125

Names & identifiers

Preferred name
(3,4,5-Triacetyloxy-6-aminooxan-2-yl)methyl acetate
IUPAC
(3,4,5-triacetyloxy-6-aminooxan-2-yl)methyl acetate
English name
2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
Molecular formula
C14H21NO9
Molecular weight
347.32

Names & synonyms

NSC272457(3,4,5-triacetyloxy-6-aminooxan-2-yl)methyl acetate2,3,4,6-tetra-O-acetylhexopyranosylamineSCHEMBL14342134DTXSID40313565AKOS004910530NSC-272457NSC 272457TETRA-O-ACETYL-SS-D-GLUCOPYRANOSYLAMINE2,3,4,6-tetra-O-acetyl-D-glucosyl-1-amineb-D-Glucopyranosylamine,2,3,4,6-tetraacetate2,3,4,6-tetraacetate-β-D-glucopyranosylamine
Show more names
2,3,4,6-tetra-O-acetyl-β-Dglucopyranosylamine2,3,4,6-tetra-O-acetyl-β-D-glucopyranosylaminebeta-D-Glucopyranosylamine 2,3,4,6-tetraacetate[3,4,5-TRIS(ACETYLOXY)-6-AMINOOXAN-2-YL]METHYL ACETATE1-Amino-2,3,4,6-tetra-O-acetyl-1-deoxy-β-D-glucopyranose

Database identifiers

CAS
51642-81-0
PubChem CID
321468
DTXSID
DTXSID40313565

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
140 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
24

Physicochemical properties

Melting point
127 °C · 127 °C
Boiling point
411.6 · 411.6±45.0 °C(Predicted)
Density
1.3 · 1.30±0.1 g/cm3(Predicted)
pka
7.37 · 7.37±0.70(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers28 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
上海铖瑞生物科技有限公司17316456674 15316859367

Related reactions

4 records
New reaction record

Compound notes

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CAS 51642-81-0 (3,4,5-Triacetyloxy-6-aminooxan-2-yl)methyl acetate (HCID 321468)｜Huagongshe