ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-4-O-[2-(dimethylamino)-2-oxoethyl]-3-(1,4-dithiepan-6-ylamino)-D-threo-pentitol | C14H26N2O3S2

1,5-Anhydro-2,3-dideoxy-4-O-[2-(dimethylamino)-2-oxoethyl]-3-(1,4-dithiepan-6-ylamino)-D-threo-pentitol

  • Molecular FormulaC14H26N2O3S2
  • Average mass334.498 Da
  • Monoisotopic mass334.138489 Da
  • ChemSpider ID35083752

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-4-O-[2-(dimethylamino)-2-oxoethyl]-3-(1,4-dithiepan-6-ylamino)-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-4-O-[2-(dimethylamino)-2-oxoethyl]-3-(1,4-dithiepan-6-ylamino)-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-4-O-[2-(diméthylamino)-2-oxoéthyl]-3-(1,4-dithiépan-6-ylamino)-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-[2-(dimethylamino)-2-oxoethyl]-3-(1,4-dithiepan-6-ylamino)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 507.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.9±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 89.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.41
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 46.80
Polar Surface Area: 101 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 275.3±5.0 cm3

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