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8-(4-Chlorophenylthio)-2'-O-methyladenosine 3',5'-((acetyloxy)methyl)-cyclic monophosphate-[13C6]

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General Information
Catalog: BLP-006542
Molecular Formula: C14[13C]6H21ClN5O8PS
Molecular Weight: 563.86

Chemical Structure

Synonyms	[13C6]-8-(4-Chlorophenylthio)-2'-O-methyladenosine 3',5'-(acetyloxy)methyl)-cyclic monophosphate; 8-pCPT-2'-O-Me-cAMP-AM-13C6; 8-(4-Chlorophenylthio)-2'-O-methyladenosine-3',5'-cyclic monophosphate acetoxymethyl Ester-13C6; 8-CPT-AM-13C6
IUPAC Name	[(4aR,6R,7R,7aR)-6-[6-amino-8-(4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)sulfanylpurin-9-yl]-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl acetate
Related CAS	1152197-23-3 (unlabelled)
Canonical SMILES	CC(=O)OCOP1(=O)OCC2C(O1)C(C(O2)N3C4=NC=NC(=C4N=C3SC5=CC=C(C=C5)Cl)N)OC
InChI	InChI=1S/C20H21ClN5O8PS/c1-10(27)30-9-32-35(28)31-7-13-15(34-35)16(29-2)19(33-13)26-18-14(17(22)23-8-24-18)25-20(26)36-12-5-3-11(21)4-6-12/h3-6,8,13,15-16,19H,7,9H2,1-2H3,(H2,22,23,24)/t13-,15-,16-,19-,35?/m1/s1/i3+1,4+1,5+1,6+1,11+1,12+1
InChI Key	FZMWUFYPEVDWPA-DUOMVEGTSA-N
Purity	≥98%; ≥99% atom 13C
Appearance	White Solid