ChemSpider 2D Image | Hydroxymethylbilane | C40H46N4O17

Hydroxymethylbilane

  • Molecular FormulaC40H46N4O17
  • Average mass854.810 Da
  • Monoisotopic mass854.285767 Da
  • ChemSpider ID767

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Hydroxymethylbilane [Wiki]
21H-Biline-2,7,12,17-tetrapropanoic acid, 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-
3-[5-{[3-(2-Carboxyethyl)-5-{[3-(2-carboxyethyl)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
3-[5-{[3-(2-Carboxyethyl)-5-{[3-(2-carboxyethyl)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propansäure [German]
Acide 3-[5-{[3-(2-carboxyéthyl)-5-{[3-(2-carboxyéthyl)-5-{[3-(2-carboxyéthyl)-4-(carboxyméthyl)-5-(hydroxyméthyl)-1H-pyrrol-2-yl]méthyl}-4-(carboxyméthyl)-1H-pyrrol-2-yl]méthyl}-4-(carboxyméthyl)-1H-pyrrol-2-yl]méthyl}-4-(carboxyméthyl)-1H-pyrrol-3-yl]propanoïque [French]
3,8,13,18-tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoate
3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-Biline-2,7,12,17-tetrapropanoate
3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoate
3-[2-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-5-[[4-(2-carboxyethyl)-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-3-(carboxymethyl)-1H-pyrrol-2-yl]methyl]-4-(carboxymethyl)-5-(hydroxymethyl)-1H-pyrrol-3-yl]propanoic acid
(hydroxymethyl)bilane
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C01024 [DBID]
CHEBI:16645 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 1135.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 175.3±3.0 kJ/mol
Flash Point: 640.6±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 205.8±0.3 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -8.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 382 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 540.3±3.0 cm3

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