AG006DIS

69075-47-4 | Cytidine, 2'-deoxy-5-ethynyl-

AG006DIS

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CAS Number	69075-47-4
Catalog Number	AG006DIS(AGN-PC-0OGP72)
Chemical Name	Cytidine, 2'-deoxy-5-ethynyl-
IUPAC Name	4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI	InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
InChI Key	HMJSYXIPNSASJY-DJLDLDEBSA-N
MDL Number	MFCD22417249
Molecular Formula	C11H13N3O4
Molecular Weight	251.2386
SMILES	OC[C@@H]1[C@H](C[C@H](N2C(N=C(C(C#C)=C2)N)=O)O1)O
Synonyms	5-ethynyl-2'-deoxycytidine, 5-Ethynyl-2'-deoxycytidine, Cytidine, 2'-deoxy-5-ethynyl-, 69075-47-4, 5-Ethynyl-2-deoxycytidine, 2'-deoxy-5-ethynylcytidine, SCHEMBL6906161, CTK1J1481, DTXSID10567311, MFCD22417249, ZINC34440072, AKOS027253006, 5-Ethynyl-2'-deoxycytidine, (EdC), AldrichCPR, J-700090,

Complexity	476
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	251.091g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	251.242g/mol
Monoisotopic Mass	251.091g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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