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137157-50-7 | D-Mannose, 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 137157-50-7 Catalog No: AG0012VP MDL No:
Product Description
Catalog Number:
AG0012VP
Chemical Name:
D-Mannose, 2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
137157-50-7
Molecular Formula:
C14H19NO7
Molecular Weight:
313.3032
IUPAC Name:
benzyl N-[(4R,5S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
InChI:
InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9?,10?,11-,12-,13?/m1/s1
InChI Key:
FRTOTMQAWIIMKK-JBSNKVJHSA-N
SMILES:
OC[C@H]([C@H]([C@@H]([C@H](NC(=O)OCc1ccccc1)C=O)O)O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
313.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
313.306g/mol
Monoisotopic Mass:
313.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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