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100898-63-3 | Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-
CAS No: 100898-63-3 Catalog No: AG00033R MDL No:MFCD05663669
Product Description
Catalog Number:
AG00033R
Chemical Name:
Cytidine, N-acetyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-
CAS Number:
100898-63-3
Molecular Formula:
C32H33N3O7
Molecular Weight:
571.6203
MDL Number:
MFCD05663669
IUPAC Name:
N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
InChI:
InChI=1S/C32H33N3O7/c1-21(36)33-29-17-18-35(31(38)34-29)30-19-27(37)28(42-30)20-41-32(22-7-5-4-6-8-22,23-9-13-25(39-2)14-10-23)24-11-15-26(40-3)16-12-24/h4-18,27-28,30,37H,19-20H2,1-3H3,(H,33,34,36,38)/t27-,28+,30+/m0/s1
InChI Key:
FHZQVUQHQIUSPM-PKZQBKLLSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)NC(=O)C
Properties
Complexity:
957
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
571.232g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
571.63g/mol
Monoisotopic Mass:
571.232g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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