AG000V2B

13089-48-0 | Cytidine, N-benzoyl-

AG000V2B

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CAS Number	13089-48-0
Catalog Number	AG000V2B(AGN-PC-0O0YYV)
Chemical Name	Cytidine, N-benzoyl-
EC Number	603-444-9
IUPAC Name	N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
InChI	InChI=1S/C16H17N3O6/c20-8-10-12(21)13(22)15(25-10)19-7-6-11(18-16(19)24)17-14(23)9-4-2-1-3-5-9/h1-7,10,12-13,15,20-22H,8H2,(H,17,18,23,24)/t10-,12-,13-,15-/m1/s1
InChI Key	BNXBRFDWSPXODM-BPGGGUHBSA-N
MDL Number	MFCD00010572
Molecular Formula	C16H17N3O6
Molecular Weight	347.3227
SMILES	OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C=C2)NC(C3=CC=CC=C3)=O)=O)O1)O)O
Synonyms	N-benzoylcytidine, N4-Benzoylcytidine, 13089-48-0, Cytidine, N-benzoyl-, MFCD00010572, bz-rc, N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide, N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, N4-Benzoylcytidine;N-(1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, n6-benzoyl, n4-bz-rc, 4-n-benzoyl cytidine, n4-benzoyl-d-cytidine, PubChem14485, n(sup 4)benzoylcytidine, N4-Benzoylcytidine, 99%, KSC180K2H, SCHEMBL565904, CTK0I0523, BNXBRFDWSPXODM-BPGGGUHBSA-N, ZINC6569119, ANW-19240, DT1144, MFCD01457402, AKOS015839054, AKOS015895282, CM14345, RTR-004223, CJ-13022, DB-041991, ST2407345, TR-004223, A-8308, J-700223, NSC242979, CID10066259, N-(1-(3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, N4-Benzoylcytidine, 98%, a reverse transcriptase inhibitor against the HIV-1 virus - 1G 1g,

Complexity	586
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	347.112g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	347.327g/mol
Monoisotopic Mass	347.112g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	132A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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