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114869-95-3 | α-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate
CAS No: 114869-95-3 Catalog No: AG000FCV MDL No:
Product Description
Catalog Number:
AG000FCV
Chemical Name:
α-D-Glucopyranoside, methyl 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-, 6-acetate
CAS Number:
114869-95-3
Molecular Formula:
C24H29NO8
Molecular Weight:
459.4890
IUPAC Name:
[(2R,3S,4R,5R,6S)-3-hydroxy-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate
InChI:
InChI=1S/C24H29NO8/c1-16(26)30-15-19-21(27)22(31-13-17-9-5-3-6-10-17)20(23(29-2)33-19)25-24(28)32-14-18-11-7-4-8-12-18/h3-12,19-23,27H,13-15H2,1-2H3,(H,25,28)/t19-,20-,21-,22-,23+/m1/s1
InChI Key:
VOTXJTGQZBSOKH-JLMDMGSGSA-N
SMILES:
CO[C@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)OCc1ccccc1)OCc1ccccc1)O
Properties
Complexity:
605
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
459.189g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
459.495g/mol
Monoisotopic Mass:
459.189g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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