ChemSpider 2D Image | (2(S),5(S))-1,2,5,6-Tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-L-altritol | C44H58N8O6

(2(S),5(S))-1,2,5,6-Tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-L-altritol

  • Molecular FormulaC44H58N8O6
  • Average mass794.981 Da
  • Monoisotopic mass794.447937 Da
  • ChemSpider ID58521
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2(S),5(S))-1,2,5,6-Tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyrimidinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-L-altritol
(2S)-N-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-{[(2S)-3-methyl-2-{[methyl(2-pyridinylmethyl)carbamoyl]amino}butanoyl]amino}-1,6-diphenyl-2-hexanyl]-3-methyl-2-{[methyl(2-pyridinylmethyl)carbamoyl]amino}butanam id [German] [ACD/IUPAC Name]
(2S)-N-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-{[(2S)-3-methyl-2-{[methyl(2-pyridinylmethyl)carbamoyl]amino}butanoyl]amino}-1,6-diphenyl-2-hexanyl]-3-methyl-2-{[methyl(2-pyridinylmethyl)carbamoyl]amino}butanam ide [ACD/IUPAC Name]
(2S)-N-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-{[(2S)-3-méthyl-2-{[méthyl(2-pyridinylméthyl)carbamoyl]amino}butanoyl]amino}-1,6-diphényl-2-hexanyl]-3-méthyl-2-{[méthyl(2-pyridinylméthyl)carbamoyl]amino}butanam ide [French] [ACD/IUPAC Name]
(2S)-N-[(2S,3R,4S,5S)-3,4-Dihydroxy-5-{[(2S)-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanoyl]amino}-1,6-diphenylhexan-2-yl]-3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide (non-preferred name)
134878-17-4 [RN]
L-Altritol, 1,2,5,6-tetradeoxy-2,5-bis[[(2S)-3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutyl]amino]-1,6-diphenyl- [ACD/Index Name]
(2S)-N-[(2S,3R,4S,5S)-3,4-DIHYDROXY-5-[(2S)-3-METHYL-2-{[METHYL(PYRIDIN-2-YLMETHYL)CARBAMOYL]AMINO}BUTANAMIDO]-1,6-DIPHENYLHEXAN-2-YL]-3-METHYL-2-{[METHYL(PYRIDIN-2-YLMETHYL)CARBAMOYL]AMINO}BUTANAMIDE
1,2,5,6-Tetradeoxy-2,5-bis[[3-methyl-2-[[methyl(2-pyridinylmethyl)amino]carbonyl]amino]-1-oxobutylamino]-1,6-diphenyl-L-altritol, (R,S)-
A77
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A-77003 [DBID]
BER06U740R [DBID]
A 77003 [DBID]
ABT 77003 [DBID]
AIDS002117 [DBID]
AIDS-002117 [DBID]
C15660 [DBID]
UNII:BER06U740R [DBID]
UNII-BER06U740R [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1098.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 169.1±3.0 kJ/mol
Flash Point: 618.2±34.3 °C
Index of Refraction: 1.593
Molar Refractivity: 222.8±0.3 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 256.90
ACD/KOC (pH 5.5): 1644.36
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 384.15
ACD/KOC (pH 7.4): 2458.88
Polar Surface Area: 189 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 657.2±3.0 cm3

Click to predict properties on the Chemicalize site






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