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Lysidine

CAT: 0926-NA46541Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-NA46541Size:5 mg
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CAS Number
144796-96-3
Synonyms
(2S) -2-Amino-6- ({4-amino-1-[ (2R,3R,4S,5R) -3,4-dihydroxy-5- (hydroxymethyl) oxolan-2-yl]-1,2-dihydropyrimidin-2-ylidene}amino) hexanoic acid
Smiles
C1=CN (C (=NCCCC[C@@H] (C (=O) O) N) N=C1N) [C@H]2[C@@H] ([C@@H] ([C@H] (O2) CO) O) O
Molecular Formula
C15H25N5O6
Molecular Weight
371.39 g/mol
Controlled
No

Chemical Information

2-Lysylcytidine

Lysidine is cytidine in which the 2-keto group on the cytosine ring is substituted by an -Llysyl residue. It is a member of cytidines, a L-lysine derivative and a non-proteinogenic L-alpha-amino acid.

CAS Number144796-96-3
PubChem CID44124149
IUPAC Name(2S)-2-amino-6-[[4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-ylidene]amino]hexanoic acid
Molecular FormulaC15H25N5O6
Molecular Weight371.39
XLogP-4.5
Topological Polar Surface Area187
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity595
SMILES
C1=CN(C(=NCCCC[C@@H](C(=O)O)N)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C15H25N5O6/c16-8(14(24)25)3-1-2-5-18-15-19-10(17)4-6-20(15)13-12(23)11(22)9(7-21)26-13/h4,6,8-9,11-13,21-23H,1-3,5,7,16H2,(H,24,25)(H2,17,18,19)/t8-,9+,11+,12+,13+/m0/s1
InChIKey
MDWUIKMWKDMPDE-IINAIABHSA-N
Chemical Structure
2D Structure
2D structure of 2-Lysylcytidine
CAS: 144796-96-3
CID: 44124149
Formula: C15H25N5O6
MW: 371.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.39
XLogP3-4.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass371.18048353
Monoisotopic Mass371.18048353
Topological Polar Surface Area187 Ų
Heavy Atom Count26
Formal Charge0
Complexity595
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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