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100997-66-8 | 2(1H)-Pyrimidinone, 4-[1-(2-hydroxyethyl)hydrazino]-1-β-D-ribofuranosyl- (9CI)
CAS No: 100997-66-8 Catalog No: AG0003EO MDL No:
Product Description
Catalog Number:
AG0003EO
Chemical Name:
2(1H)-Pyrimidinone, 4-[1-(2-hydroxyethyl)hydrazino]-1-β-D-ribofuranosyl- (9CI)
CAS Number:
100997-66-8
Molecular Formula:
C11H18N4O6
Molecular Weight:
302.2838
IUPAC Name:
4-[amino(2-hydroxyethyl)amino]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C11H18N4O6/c12-15(3-4-16)7-1-2-14(11(20)13-7)10-9(19)8(18)6(5-17)21-10/h1-2,6,8-10,16-19H,3-5,12H2/t6-,8-,9-,10-/m1/s1
InChI Key:
YDRMAQKZAVRJEZ-PEBGCTIMSA-N
SMILES:
OCCN(c1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)N
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
302.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
302.287g/mol
Monoisotopic Mass:
302.123g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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