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Merodesmosine

CAT: 0572-TRC-M515100-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M515100-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51510-36-2
Hazard Statement
No Data Available
Smiles
NC(CCCCNC\C(=C/CCCC(N)C(=O)O)\CCC(N)C(=O)O)C(=O)O
Molecular Formula
C18 H34 N4 O6
Molecular Weight
402.486
InChI
InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5-
Additionnal Information
IUPAC name: (Z)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
Shipping Conditions
Room Temperature

Chemical Information

(Z)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
CAS Number51510-36-2
PubChem CID169444220
IUPAC Name(Z)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
Molecular FormulaC18H34N4O6
Molecular Weight402.5
XLogP-7.5
Topological Polar Surface Area202
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Heavy Atom Count28
Formal Charge0
Complexity526
SMILES
C(CCNC/C(=C\CCCC(C(=O)O)N)/CCC(C(=O)O)N)CC(C(=O)O)N
InChI
InChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5-
InChIKey
ZUXGPPMNMKSOEO-XGICHPGQSA-N
Chemical Structure
2D Structure
2D structure of (Z)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
CAS: 51510-36-2
CID: 169444220
Formula: C18H34N4O6
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP3-7.5
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count17
Exact Mass402.24783482
Monoisotopic Mass402.24783482
Topological Polar Surface Area202 Ų
Heavy Atom Count28
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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