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23643-36-9 | 2,4(1H,3H)-Pyrimidinedione, 1-(2,3,5-tri-O-benzoyl-2-C-methyl-β-D-ribofuranosyl)-
CAS No: 23643-36-9 Catalog No: AG002O0P MDL No:MFCD22989420
Product Description
Catalog Number:
AG002O0P
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(2,3,5-tri-O-benzoyl-2-C-methyl-β-D-ribofuranosyl)-
CAS Number:
23643-36-9
Molecular Formula:
C31H26N2O9
Molecular Weight:
570.5461
MDL Number:
MFCD22989420
IUPAC Name:
[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methyl benzoate
InChI:
InChI=1S/C31H26N2O9/c1-31(42-28(37)22-15-9-4-10-16-22)25(41-27(36)21-13-7-3-8-14-21)23(19-39-26(35)20-11-5-2-6-12-20)40-29(31)33-18-17-24(34)32-30(33)38/h2-18,23,25,29H,19H2,1H3,(H,32,34,38)/t23-,25-,29-,31-/m1/s1
InChI Key:
MEWJCEWIFZELKA-RDWHIKKYSA-N
SMILES:
O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@H]([C@@]1(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
570.164g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
570.554g/mol
Monoisotopic Mass:
570.164g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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