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Search term: NWRSYSRVTYBWJV-WFECKALKSA-H (Found by InChIKey (skeleton match))
ChemSpider 2D Image | precorrin-6Y | C44H56N4O16

precorrin-6Y

  • Molecular FormulaC44H56N4O16
  • Average mass896.933 Da
  • Monoisotopic mass896.369141 Da
  • ChemSpider ID21864894

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

precorrin-6Y
(1R-(1α,2α,3β,9β,13α,17β,18α,19β))-2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-3,7,12,17-corrintetrapropanoic acid
139663-55-1 [RN]
3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
3-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
4901795 [Beilstein]
Precorrin 6B
Precorrin 6Y
  • Miscellaneous

    • Chemical Class:

      The intermediate in the biosynthesis of vitamin B<smallsub>12</smallsub> from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring c ontraction and reduction. ChEBI CHEBI:27858
      The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring c; ontraction and redu ction. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27858
      The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and reduct ion. ChEBI CHEBI:27858

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1176.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.3±6.0 kJ/mol
Flash Point: 665.0±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 220.2±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -6.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 593.3±7.0 cm3

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