Found 20 results

Search term: MF = 'C_{31}H_{33}N_{3}O_{11}'
ChemSpider 2D Image | (3Z)-4-Amino-3-(4-methoxybenzylidene)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one | C31H33N3O11

(3Z)-4-Amino-3-(4-methoxybenzylidene)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

  • Molecular FormulaC31H33N3O11
  • Average mass623.607 Da
  • Monoisotopic mass623.211487 Da
  • ChemSpider ID4581756

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-Amino-3-(4-methoxybenzyliden)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-on [German] [ACD/IUPAC Name]
(3Z)-4-Amino-3-(4-methoxybenzylidene)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one [ACD/IUPAC Name]
(3Z)-4-Amino-3-(4-méthoxybenzylidène)-1-(2,3,4,6-tétra-O-acétylhexopyranosyl)-1,3-dihydro-2H-1,5-benzodiazépin-2-one [French] [ACD/IUPAC Name]
2H-1,5-Benzodiazepin-2-one, 4-amino-1,3-dihydro-3-[(4-methoxyphenyl)methylene]-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-, (3Z)- [ACD/Index Name]

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

NSC712243 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±35.7 °C
Index of Refraction: 1.610
Molar Refractivity: 155.8±0.5 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.72
ACD/KOC (pH 5.5): 937.02
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.18
ACD/KOC (pH 7.4): 941.40
Polar Surface Area: 182 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 449.7±7.0 cm3

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