ChemSpider 2D Image | Amicetin | C29H42N6O9

Amicetin

  • Molecular FormulaC29H42N6O9
  • Average mass618.679 Da
  • Monoisotopic mass618.301331 Da
  • ChemSpider ID26672

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

17650-86-1 [RN]
Amicetin
Benzamide, 4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-p yrimidinyl]- [ACD/Index Name]
benzamide, 4-[[(2S)-2-amino-3-hydroxy-2-methyl-1-oxopropyl]amino]-N-[1-[(2R,5S,6R)-5-[[4,6-dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]-
N-{1-[(2R,5S,6R)-5-{[4,6-Dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]-2-oxo-1,2-dihydro-4-pyrimidinyl}-4-[(2-methyl-L-seryl)amino]benzamide [ACD/IUPAC Name]
N-{1-[(2R,5S,6R)-5-{[4,6-Dideoxy-4-(dimethylamino)-α-D-glucopyranosyl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]-2-oxo-1,2-dihydropyrimidin-4-yl}-4-[(2-methyl-L-seryl)amino]benzamide
N-{1-[(2R,5S,6R)-5-{[4,6-Didesoxy-4-(dimethylamino)-α-D-glucopyranosyl]oxy}-6-methyltetrahydro-2H-pyran-2-yl]-2-oxo-1,2-dihydro-4-pyrimidinyl}-4-[(2-methyl-L-seryl)amino]benzamid [German] [ACD/IUPAC Name]
N-{1-[(2R,5S,6R)-5-{[4,6-Didésoxy-4-(diméthylamino)-α-D-glucopyranosyl]oxy}-6-méthyltétrahydro-2H-pyran-2-yl]-2-oxo-1,2-dihydro-4-pyrimidinyl}-4-[(2-méthyl-L-séryl)amino]benzamide [French] [ACD/IUPAC Name]
[2R-[2a(S*),5b,6a]]-4-[(2-Amino-3-hydroxy-2-methyl-1-oxopropyl)amino]-N-[1-[5-[[4,6-dideoxy-4-(dimethylamino)-a-D-glucopyranosyl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]-1,2-dihydro-2-oxo-4-pyrimidinyl]
4-[[(2S)-2-amino-3-hydroxy-2-methylpropanoyl]amino]-N-[1-[(2R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-dimethylamino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-2-oxopyrimidin-4-yl]benzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0909X15C85 [DBID]
D 13 [DBID]
U 4761 [DBID]
AI3-50806 [DBID]
BRN 0102092 [DBID]
D-13 [DBID]
NSC 5340 [DBID]
U-4761 [DBID]
UNII:0909X15C85 [DBID]
UNII-0909X15C85 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.41
ACD/LogD (pH 5.5): -4.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.62
Polar Surface Area: 209 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 421.0±7.0 cm3

Click to predict properties on the Chemicalize site


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