Home Halogens (3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol

(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol

CAS No.:
220241-60-1
Catalog Number:
AG00BEZR
Molecular Formula:
C15H23ClN4O3S
Molecular Weight:
374.8861
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Product Description
Catalog Number:
AG00BEZR
Chemical Name:
(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol
CAS Number:
220241-60-1
Molecular Formula:
C15H23ClN4O3S
Molecular Weight:
374.8861
MDL Number:
MFCD26967982
IUPAC Name:
(3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
InChI:
InChI=1S/C15H23ClN4O3S/c1-4-5-24-14-19-12(16)9(17)13(20-14)18-7-6-8(21)11-10(7)22-15(2,3)23-11/h7-8,10-11,21H,4-6,17H2,1-3H3,(H,18,19,20)/t7-,8+,10+,11-/m1/s1
InChI Key:
ZFIOCHSHJADREN-YKDSUIRESA-N
SMILES:
CCCSc1nc(N[C@@H]2C[C@@H]([C@@H]3[C@H]2OC(O3)(C)C)O)c(c(n1)Cl)N
Properties
Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
374.118g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
374.884g/mol
Monoisotopic Mass:
374.118g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties