CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)SC2=O)OC(=O)C)OC(=O)C
CAS: 124737-24-2
الاسم: [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)SC2=O)OC(=O)C)OC(=O)C

Molecular Processing

Molecular formula
C16H18N4O9S
Molecular weight
442.41
Exact mass
442.0794
XLogP
-0.95
TPSA
181.9
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
100.56

Supplementary Information

InChIKey: JCBNBPGERWWBNS-NZHONMPCSA-N
مرادفات
ATTPD124737-24-25-Amino-3-(2,3,5-tri-O-acetyl-beta-ribofuranosyl)thiazolo(4,5-d)pyrimidine-2,7-dioneDTXSID40154470RefChem:101948DTXCID5076961[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-2,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetateSCHEMBL510895CHEMBL1790787JCBNBPGERWWBNS-NZHONMPCSA-N[(2R,3R,4R,5R)-3,4-diacetoxy-5-(5-amino-2,7-dioxo-6H-thiazolo[4,5-d]pyrimidin-3-yl)tetrahydrofuran-2-yl]methyl acetate[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-amino-2,7-dioxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate5-Amino-3-(2',3', 5'-tri-O-acetyl-beta-D-ribofuranosyl)thiazolo[4,5-d]pyrimidine-2,7(6H)-dione5-Amino-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo [4,5-d]pyrimidin-2,7-dione5-Amino-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2,7-dione5-Amino-3-(2',3',5'-tri-O-acetyl-beta-D-ribofuranosyl)thiazolo[4,5-d]pyrimidine-2,7(6H)-dione5-Amino-3-(2,3,5'-tri-O-acetyl-beta-D-ribofuranosyl)-3H-thiazolo[4,5-d]pyrimidin-2,7-dione5-Amino-3-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)[1,3]thiazolo[4,5-d]pyrimidine-2,7(3H,4H)-dione5-Amino-3-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)thiazolo[4,5-d]-pyrimidine-2,7(3H,6H)-dioneAcetic acid, 4-acetoxy-2-acetoxymethyl-5-(5-amino-2,7-dioxo-6,7-dihydro-thiazolo[4,5-d]pyrimidin-3-yl)-tetrahydro-furan-3-yl esterThiazolo(4,5-d)pyrimidine-2,7(3H,4H)-dione, 5-amino-3-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)
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