Registration Dossier

General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
(2R,3R,4R,5R)-4-(acetyloxy)-2-(5-fluoro-2-oxo-4-{[(pentyloxy)carbonyl]amino}-1,2-dihydropyrimidin-1-yl)-5-methyloxolan-3-yl acetate
Synonyms
Names:
Identifier:
CAS number
162204-20-8
Identifier:
EC number
700-593-2
2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine

CAS information

CAS number:
162204-20-8

Molecular and structural information

Molecular formula:
C19H26FN3O8
Molecular weight:
443.43
SMILES notation:
O=C(OCCCCC)NC1=NC(=O)N(C=C1F)[C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O
InChl:
1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1 AuxInfo=1/1/N:25,14,31,29,24,23,22,21,6,9,26,27,12,7,3,15,1,5,18,16,10,17,2,30,28,11,20,19,4,13,8/it:im/rA:31C.oNC.oOCCC.oOC.oNOCOCCFNCOOCCCCCCCOCOC/rB:s1;s1;s1;s2;s2;s3;s3;s4s7;s5;d5;d-6;s7;s9;d-10s12;s12;s15;s17;s18;d18;s19;s21;s22;s23;s24;s13;s8;d27;s27;d26;s26;/rC:6.1797,-2.7955,0;7.6418,-2.3223,0;5.7208,-4.2443,0;4.9467,-1.8637,0;7.6418,-.7741,0;8.9894,-3.1108,0;4.1726,-4.2299,0;6.6096,-5.4772,0;3.6853,-2.7524,0;8.9894,0,0;6.3228,0,0;10.3093,-2.3223,0;3.2254,-5.4914,0;2.179,-2.2936,0;10.3093,-.7741,0;11.6567,-3.0964,0;11.6567,-.0286,0;13.0043,-.7741,0;13.0043,-2.3223,0;14.3233,-.0429,0;14.3233,-3.1108,0;14.3233,-4.6888,0;13.033,-5.4341,0;11.6711,-4.6744,0;10.3236,-5.4197,0;1.3761,-5.5775,0;7.9859,-6.1224,0;7.0971,-7.2547,0;9.3047,-6.452,0;1.4765,-6.6956,0;0,-4.9324,0;
Structural formula:
Chemical structure