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100997-68-0

100997-68-0 | 2(1H)-Pyrimidinone, 4-(1-methylhydrazino)-1-β-D-ribofuranosyl- (9CI)

CAS No: 100997-68-0 Catalog No: AG0003EN MDL No:

Product Description

Catalog Number:
AG0003EN
Chemical Name:
2(1H)-Pyrimidinone, 4-(1-methylhydrazino)-1-β-D-ribofuranosyl- (9CI)
CAS Number:
100997-68-0
Molecular Formula:
C10H16N4O5
Molecular Weight:
272.2578
IUPAC Name:
4-[amino(methyl)amino]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C10H16N4O5/c1-13(11)6-2-3-14(10(18)12-6)9-8(17)7(16)5(4-15)19-9/h2-3,5,7-9,15-17H,4,11H2,1H3/t5-,7-,8-,9-/m1/s1
InChI Key:
JSAYVLVWSQSVML-ZOQUXTDFSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N(N)C

Properties

Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
272.112g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
272.261g/mol
Monoisotopic Mass:
272.112g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

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