Found 1 result

Search term: XLFIRMYGVLUNOY-SXMZNAGASA-M (Found by InChIKey (full match))
ChemSpider 2D Image | {3,3',3''-[(1S,3S,4S,5S,8R,11S,17S,18S,22S,23R,29S)-5-(2-Amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.1~3,6~.1~8,11~.1~16,19~.0~1,23~.0~ 10,15~]triaconta-6(30),9,15,19,21(27)-pentaene-4,17,22-triyl-kappa~4~N~9~,N~27~,N~28~,N~30~]tripropanoato}nickel(1+) | C42H51N6NiO13

{3,3',3''-[(1S,3S,4S,5S,8R,11S,17S,18S,22S,23R,29S)-5-(2-Amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.0 10,15]triaconta-6(30),9,15,19,21(27)-pentaene-4,17,22-triyl-κ4N9,N27,N28,N30]tripropanoato}nickel(1+)

  • Molecular FormulaC42H51N6NiO13
  • Average mass906.580 Da
  • Monoisotopic mass905.286194 Da
  • ChemSpider ID76962550

  • Charge - Charge

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

{3,3',3''-[(1S,3S,4S,5S,8R,11S,17S,18S,22S,23R,29S)-5-(2-Amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.0 10,15]triaconta-6(30),9,15,19,21(27)-pentaen-4,17,22-triyl-κ4N9,N27,N28,N30]tripropanoato}nickel(1+) [German] [ACD/IUPAC Name]
{3,3',3''-[(1S,3S,4S,5S,8R,11S,17S,18S,22S,23R,29S)-5-(2-Amino-2-oxoéthyl)-18,29-bis(carboxyméthyl)-5,23-diméthyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.0 10,15]triaconta-6(30),9,15,19,21(27)-pentaène-4,17,22-triyl-κ4N9,N27,N28,N30]tripropanato}nickel(1+) [French] [ACD/IUPAC Name]
{3,3',3''-[(1S,3S,4S,5S,8R,11S,17S,18S,22S,23R,29S)-5-(2-Amino-2-oxoethyl)-18,29-bis(carboxymethyl)-5,23-dimethyl-14,25-dioxo-9,26,27,28,30-pentaazaheptacyclo[19.5.1.13,6.18,11.116,19.01,23.0 10,15]triaconta-6(30),9,15,19,21(27)-pentaene-4,17,22-triyl-κ4N9,N27,N28,N30]tripropanoato}nickel(1+) [ACD/IUPAC Name]
73145-13-8 [RN]
coenzyme F430 [Wiki]
cofactor F430
F(430)
FACTOR 430
Factor F430

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: 19
#H bond donors: 8
#Freely Rotating Bonds: 15
#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: 288 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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