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131347-68-7 | 2(1H)-Pyrimidinone, 4-amino-1-[4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hex-2-yl]-, [1R-(1α,2β,4α,5α)]- (9CI)
CAS No: 131347-68-7 Catalog No: AG000VZ2 MDL No:
Product Description
Catalog Number:
AG000VZ2
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-1-[4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hex-2-yl]-, [1R-(1α,2β,4α,5α)]- (9CI)
CAS Number:
131347-68-7
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
IUPAC Name:
4-amino-1-[(1R,5S)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
InChI:
InChI=1S/C10H13N3O3/c11-8-1-2-13(10(15)12-8)9-6-3-5(6)7(4-14)16-9/h1-2,5-7,9,14H,3-4H2,(H2,11,12,15)/t5-,6+,7?,9?/m0/s1
InChI Key:
RRGOIFKSCWKADS-YRQATFFOSA-N
SMILES:
OC[C@H]1O[C@H]([C@H]2[C@@H]1C2)n1ccc(nc1=O)N
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Synthesis of 2',3'-dideoxy-2',3'-alpha-methanocytidine. | Carbohydrate research 19900919 |
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