ChemSpider 2D Image | (2R,3R,4S,5R,8S,10R,13R,14R,15R,16R)-24-Amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22 -tetraene 8,10-dioxide | C15H22N5O13P2

(2R,3R,4S,5R,8S,10R,13R,14R,15R,16R)-24-Amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22 -tetraene 8,10-dioxide

  • Molecular FormulaC15H22N5O13P2
  • Average mass542.308 Da
  • Monoisotopic mass542.068359 Da
  • ChemSpider ID10160367

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4S,5R,8S,10R,13R,14R,15R,16R)-24-Amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22 -tetraen-8,10-dioxid [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,8S,10R,13R,14R,15R,16R)-24-Amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-1(24),18,20,22 -tetraene 8,10-dioxide [ACD/IUPAC Name]
8,10-Dioxyde de (2R,3R,4S,5R,8S,10R,13R,14R,15R,16R)-24-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacos a-1(24),18,20,22-tétraène [French] [ACD/IUPAC Name]
CXR

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 282 Å2
Polarizability:
Surface Tension:
Molar Volume:

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