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Kukoamine C

CAT: 1596-AR-K01836-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-K01836-03Size:50 Units
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CAS Number
211676-13-0
Molecular Formula
C28H42N4O6
Molecular Weight
530.67
API Name
Kukoamine

Chemical Information

Kukoamine C

Kukoamine C is an amine.

CAS Number211676-13-0
PubChem CID10052730
IUPAC NameN-(3-aminopropyl)-N-[4-[3-aminopropyl-[3-(3,4-dihydroxyphenyl)propanoyl]amino]butyl]-3-(3,4-dihydroxyphenyl)propanamide
Molecular FormulaC28H42N4O6
Molecular Weight530.7
XLogP1.1
Topological Polar Surface Area174
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count38
Formal Charge0
Complexity628
SMILES
C1=CC(=C(C=C1CCC(=O)N(CCCCN(CCCN)C(=O)CCC2=CC(=C(C=C2)O)O)CCCN)O)O
InChI
InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2
InChIKey
MRBLTJLKQIHRTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kukoamine C
CAS: 211676-13-0
CID: 10052730
Formula: C28H42N4O6
MW: 530.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass530.31043507
Monoisotopic Mass530.31043507
Topological Polar Surface Area174 Ų
Heavy Atom Count38
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-K01842-01Kukoamine A DiHCl
AR-K01123-01Kukoamine B
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AR-K01835-01Kukoamine B-d8
AR-K01843-01Kukoamine A-d8 DiHCl
AR-K01125-01Kukoamine B-d8
AR-K01838-01N-Nitroso Kukoamine A Formate
AR-K01124-01Kukoamine B-d5 DiHCl
AR-K01844-01N2, N3-Dinitroso Kukoamine A
AR-K01841-01N1, N2, N3-Trinitroso Kukoamine A

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300534Kukoamine A
AB0306KukoaMine B
HY-N2392RKukoamine A (Standard)
T7026L-01Kukoamine B mesylate

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