ChemSpider 2D Image | alcaligin | C16H28N4O8

alcaligin

  • Molecular FormulaC16H28N4O8
  • Average mass404.415 Da
  • Monoisotopic mass404.190704 Da
  • ChemSpider ID21169323

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(8S,18S)-1,8,11,18-Tetrahydroxy-1,6,11,16-tetraazacycloicosan-2,5,12,15-tetron [German] [ACD/IUPAC Name]
(8S,18S)-1,8,11,18-Tetrahydroxy-1,6,11,16-tetraazacycloicosane-2,5,12,15-tetrone [ACD/IUPAC Name]
(8S,18S)-1,8,11,18-Tétrahydroxy-1,6,11,16-tétraazacycloicosane-2,5,12,15-tétrone [French] [ACD/IUPAC Name]
1,6,11,16-Tetraazacycloeicosane-2,5,12,15-tetrone, 1,8,11,18-tetrahydroxy-, (8S,18S)- [ACD/Index Name]
alcaligin
1,6,11,16-Tetraazacycloeicosane-2,5,12,15-tetrone, 1,8,11,18-tetrahydroxy-, [8S-(8R*,18R*)]-
1,8(s),11,18(s)-tetrahydroxy-1,6,11,16-tetraazacycloeicosane-2,5,12,15-tetrone
117959-43-0 [RN]
4828691 [Beilstein]

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

nchembio.2007.23-comp10 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.536
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: -6.95
ACD/LogD (pH 5.5): -5.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 302.9±3.0 cm3

Click to predict properties on the Chemicalize site


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