CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C
CAS: 16321-99-6
Nom: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3Cl)N)OC(=O)C)OC(=O)C

Molecular Processing

Molecular formula
C16H18ClN5O7
Molecular weight
427.8
Exact mass
427.0895
XLogP
0.39
TPSA
157.75
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
96.4

Supplementary Information

InChIKey: HLVGVJFVAKPFOZ-SDBHATRESA-N
Synonymes
16321-99-6(2R,3R,4R,5R)-2-(Acetoxymethyl)-5-(2-amino-6-chloro-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetateMFCD03425473C16H18ClN5O72',3',5'-Tri-O-acetyl-2-amino-6-chloropurine Riboside2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)purine9H-Purin-2-amine, 6-chloro-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)purine[(2r,3r,4r,5r)-3,4-diacetyloxy-5-(2-amino-6-chloropurin-9-yl)oxolan-2-yl]methyl acetate[(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-amino-6-chloro-9H-purin-9-yl)oxolan-2-yl]methyl acetate2-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-b-D-ribofuranosyl)purineACETIC ACID (2R,3R,4R,5R)-3,4-DIACETOXY-5-(2-AMINO-6-CHLORO-PURIN-9-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTERHLVGVJFVAKPFOZ-SDBHATRESA-Norb1908210SCHEMBL1120550TNU0787AKOS015967409AS-7059DA-60011SY057969F12905F8036482-Amino-6-chloro-9-(2,3,5-tri-O-acetyl-?-D-ribofuranosyl)purine2-Amino-6-chloro-9-(2',3',5'-tri-O-acetyl-|_-D-ribofuranosyl)purine2-amino-6-chloro-9-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl) purine2-amino-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-6-chloro-9H-purine9-(2,3,5-tri- O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-9H-purine9H-Purin-2-amine, 6-chloro-9-(2,3,5-tri-O-acetyl-|A-D-ribofuranosyl)-9-(2',3',5'-Tri-O-acetyl-beta-D-ribofuranosyl)-2-amino-6-chloro-(9H)-purine
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Recherche Etendue

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