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Sinefungin

CAT: 1299-RM-S213100-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S213100-03Size:25 mg
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CAS Number
58944-73-3
Synonyms
(2S,5S) -2,5-diamino-6- ((2R,3S,4R,5R) -5- (6-amino-9H-purin-9-yl) -3,4-dihydroxytetrahydrofuran-2-yl) hexanoic acid
Molecular Formula
C15H23N7O5
Molecular Weight
381.39
Target Alternative Name
Sinefungin

Chemical Information

Sinefungin

Sinefungin is an adenosine that is the the delta-(5'-adenosyl) derivative of ornithine. It has a role as an antimicrobial agent and an antifungal agent. It is a member of adenosines and a non-proteinogenic alpha-amino acid. It is functionally related to a L-ornithine.

CAS Number58944-73-3
PubChem CID65482
IUPAC Name(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
Molecular FormulaC15H23N7O5
Molecular Weight381.39
XLogP-4.3
Topological Polar Surface Area209
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity529
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
InChI
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKey
LMXOHSDXUQEUSF-YECHIGJVSA-N
Chemical Structure
2D Structure
2D structure of Sinefungin
CAS: 58944-73-3
CID: 65482
Formula: C15H23N7O5
MW: 381.39
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.39
XLogP3-4.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass381.17606686
Monoisotopic Mass381.17606686
Topological Polar Surface Area209 Ų
Heavy Atom Count27
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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