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209977-55-9 | D-Glucose, 2-deoxy-4-O-β-D-galactopyranosyl-2-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS No: 209977-55-9 Catalog No: AG002KHN MDL No:
Product Description
Catalog Number:
AG002KHN
Chemical Name:
D-Glucose, 2-deoxy-4-O-β-D-galactopyranosyl-2-[[(2-propen-1-yloxy)carbonyl]amino]-
CAS Number:
209977-55-9
Molecular Formula:
C16H27NO12
Molecular Weight:
425.3851
IUPAC Name:
prop-2-enyl N-[2,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]carbamate
InChI:
InChI=1S/C16H27NO12/c1-2-3-26-16(25)17-8-10(21)13(7(5-19)27-14(8)24)29-15-12(23)11(22)9(20)6(4-18)28-15/h2,6-15,18-24H,1,3-5H2,(H,17,25)
InChI Key:
BYVZAAFFTWSDID-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)C=O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.153g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
425.387g/mol
Monoisotopic Mass:
425.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
208A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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