ChemSpider 2D Image | (2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamide | C24H33N5O12

(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamide

  • Molecular FormulaC24H33N5O12
  • Average mass583.545 Da
  • Monoisotopic mass583.212585 Da
  • ChemSpider ID4592826

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamid [German] [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamide [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxo-3-azepanyl]-3,4-di hydro-2H-pyran-6-carboxamide (non-preferred name) [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-méthoxytétrahydro-2-furanyl]-2-oxoéthoxy}-3,4-dihydroxy-N-[(3S,7R)-7-méthyl-2-oxo-3-azépanyl]-3,4-di hydro-2H-pyrane-6-carboxamide [French] [ACD/IUPAC Name]
(2S,3S,4S)-2-{(1R)-2-Amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-hydroxy-3-méthoxytétrahydro-2-furanyl]-2-oxoéthoxy}-3,4-dihydroxy-N-[(3S,7R)-7-méthyl-2-oxo-3-azépanyl]-3,4-di hydro-2H-pyrane-6-carboxamide (non-preferred name) [French] [ACD/IUPAC Name]
254449-20-2 [RN]
(4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-(R)-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid ((S)-7-methyl-2-oxo-azepan-3-yl)-amide
6-{Carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (7-methyl-2-oxo-azepan-3-yl)-amide
6-{Carbamoyl-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid, (7-methyl-2-oxo-azepan-3-yl)-amide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

671575PXYF [DBID]
RS-112997 [DBID]
AIDS167063 [DBID]
AIDS-167063 [DBID]
AIDS221827 [DBID]
AIDS-221827 [DBID]
UNII:671575PXYF [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 135.0±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -3.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 371.8±5.0 cm3

Click to predict properties on the Chemicalize site


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