AG006WUB

4836-13-9 | N4-Benzoyl-2'-deoxycytidine

AG006WUB

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CAS Number	4836-13-9
Catalog Number	AG006WUB(AGN-PC-0OAU9D)
Chemical Name	N4-Benzoyl-2'-deoxycytidine
EC Number	225-421-9
IUPAC Name	N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
InChI	InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m0/s1
InChI Key	MPSJHJFNKMUKCN-OUCADQQQSA-N
MDL Number	MFCD00010115
Molecular Formula	C16H17N3O5
Molecular Weight	331.3233
SMILES	OC[C@@H]1[C@H](C[C@H](N2C(N=C(C=C2)NC(C3=CC=CC=C3)=O)=O)O1)O
Synonyms	N4-Benzoyl-2'-deoxycytidine, 4836-13-9, N-Benzoyl-2'-deoxy-cytidine, N-Benzoyl-2'-deoxycytidine, MFCD00010115, Cytidine,N-benzoyl-2'-deoxy-, Cytidine, N-benzoyl-2'-deoxy-, N-Benzoyl-2-Deoxy-Cytidine, N4-Benzoyl-2-deoxycytidine, KSC590O7T, SCHEMBL264065, N-Benzoyl-2\'-deoxy-cytidine, N4 -Benzoyl-2'-deoxycytidine, CTK4J0779, MPSJHJFNKMUKCN-OUCADQQQSA-N, ZINC3590879, ANW-30653, N-Benzoyl-2'-deoxycytidine, 98+%, AKOS015839058, cytidine-N-15N-N-benzoyl-2'-deoxy-, RTR-017683, KS-000010J6, AJ-45056, AK-54739, CC-32470, CJ-10670, P925, SC-77182, DB-026828, B3102, ST24048765, K-9179, 836B139, A827518, C-35166, J-700215, N4-Benzoyl-2 inverted exclamation marka-deoxycytidine, N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide, 625092-45-7, N-(1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)benzamide, N-[1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide, dC-Bz, N-Benzoyl-2/'-deoxycytidine, C16H17N3O5, EINECS 225-421-9, NSC609074, C16-H17-N3-O5, CID9797617, NSC 609074, Y-1121,

Complexity	556
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	331.117g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	331.328g/mol
Monoisotopic Mass	331.117g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

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