AG00I6R2

3416-05-5 | Thymidine, 3'-deoxy-

AG00I6R2

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CAS Number	3416-05-5
Catalog Number	AG00I6R2(AGN-PC-0O93XV)
Chemical Name	Thymidine, 3'-deoxy-
IUPAC Name	1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
InChI	InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h4,7-8,13H,2-3,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1
InChI Key	XKKCQTLDIPIRQD-JGVFFNPUSA-N
MDL Number	MFCD00010570
Molecular Formula	C10H14N2O4
Molecular Weight	226.2292
SMILES	O=C1NC(C(C)=CN1[C@@H]2O[C@H](CO)CC2)=O
Synonyms	2',3'-dideoxythymidine, 3'-Deoxythymidine, 3416-05-5, 2',3'-Dideoxythymidine, 1-((2R,5S)-5-(Hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, Dideoxythymidine, Thymidine, 3'-deoxy-, CHEMBL444314, MFCD00010570, 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2r,5s)-5-(Hydroxymethyl)tetrahydrofuran-2-Yl]-5-Methylpyrimidine-2,4(1h,3h)-Dione, desoxythymidin, NSC617596, 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione, AK-54663, 3'-deoxy thymidine, ddT & GM-CSF, 3'-Deoxythymidine, 98%, AC1L22MV, cid_5280, EOS82, SCHEMBL23485, Thymidine, 2',3'-dideoxy-, CTK8B4332, KS-00000NLI, DTXSID60187760, 1-(5-Hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione, XKKCQTLDIPIRQD-JGVFFNPUSA-N, ZINC120584, 4072AB, ANW-44704, BDBM50018445, CD-159, AKOS015912435, AKOS015999118, NSC 617596, AJ-11719, DS-14580, SC-87810, 3 inverted exclamation marka-Deoxythymidine, AX8086458, A-8650, Thymidine, 3'-deoxy- & Colony-stimulating factor 2, W-200577, I14-48003, 2 inverted exclamation marka,3 inverted exclamation marka-Dideoxythymidine, 2',3'-Dideoxythymidine & Granulocyte-macrophage colony-stimulating factor, 1-((2R,5S)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, 38S, d2T, ddTHd, L-Deoxythymidine, C10H14N2O4, CID65119, DDT, 3424-98-4, 3dT,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	226.095g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	226.232g/mol
Monoisotopic Mass	226.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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