ChemSpider 2D Image | (2R,3S,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-2-[(isobutyryloxy)methyl]-4-methyltetrahydro-3-furanyl 2-methylpropanoate (non-preferred name) | C18H26N6O6

(2R,3S,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-2-[(isobutyryloxy)methyl]-4-methyltetrahydro-3-furanyl 2-methylpropanoate (non-preferred name)

  • Molecular FormulaC18H26N6O6
  • Average mass422.436 Da
  • Monoisotopic mass422.191376 Da
  • ChemSpider ID64854270

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3S,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-2-[(isobutyryloxy)methyl]-4-methyltetrahydro-3-furanyl 2-methylpropanoate (non-preferred name) [ACD/IUPAC Name]
(2R,3S,4S,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-2-[(isobutyryloxy)methyl]-4-methyltetrahydro-3-furanyl-2-methylpropanoat (non-preferred name) [German] [ACD/IUPAC Name]
1019639-33-8 [RN]
2-Méthylpropanoate de (2R,3S,4S,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-2-azido-2-[(isobutyryloxy)méthyl]-4-méthyltétrahydro-3-furanyle (non-preferred name) [French] [ACD/IUPAC Name]
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
1366652-40-5 [RN]
4'-Azido-2'-deoxy-2'-methyl-cytidine di-isobutyryl ester
TMC-649128

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9GE48QZN6X [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.60
ACD/KOC (pH 5.5): 117.58
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 7.4): 124.24
Polar Surface Area: 133 Å2
Polarizability:
Surface Tension:
Molar Volume:

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