Found 1 result

Search term: 76801-93-9 (Found by approved synonym)
ChemSpider 2D Image | Iohexol Intermediate | C14H18I3N3O6

Iohexol Intermediate

  • Molecular FormulaC14H18I3N3O6
  • Average mass705.023 Da
  • Monoisotopic mass704.832947 Da
  • ChemSpider ID8570452

More details:

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

1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- [ACD/Index Name]
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
76801-93-9 [RN]
Iohexol Intermediate
[76801-93-9] [RN]
{3-amino-5-[N-(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}-N-(2,3-dihydroxypropyl)carboxamide
5-amino-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
5-Amino-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide
More...

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

5046WWA5VH [DBID]
UNII:5046WWA5VH [DBID]
CCRIS 4693 [DBID]

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

    Density: 2.4±0.1 g/cm3
    Boiling Point: 684.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.5±3.0 kJ/mol
    Flash Point: 368.0±31.5 °C
    Index of Refraction: 1.756
    Molar Refractivity: 121.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 8
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: -1.81
    ACD/LogD (pH 5.5): -2.18
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.55
    ACD/LogD (pH 7.4): -2.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.55
    Polar Surface Area: 165 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 88.9±3.0 dyne/cm
    Molar Volume: 295.4±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement