200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 149731-72-6
149731-72-6 | 9,12-Epoxy-1,4-methano-1H,6H,8H-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[def]biphenylene-13,15,16,18(14H,17H)-tetrone, 15a-fluorodecahydro-6,10-dihydroxy-3-(hydroxymethyl)-15b-methyl-, 6-oxide (9CI)
CAS No: 149731-72-6 Catalog No: AG001LZ4 MDL No:
Product Description
Catalog Number:
AG001LZ4
Chemical Name:
9,12-Epoxy-1,4-methano-1H,6H,8H-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[def]biphenylene-13,15,16,18(14H,17H)-tetrone, 15a-fluorodecahydro-6,10-dihydroxy-3-(hydroxymethyl)-15b-methyl-, 6-oxide (9CI)
CAS Number:
149731-72-6
Molecular Formula:
C19H26FN4O12P
Molecular Weight:
552.4015
IUPAC Name:
1-[(2S,3R,4S,5R)-2-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydroxy-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-oxophosphanium
InChI:
InChI=1S/C10H12N2O6P.C9H11FN2O6/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(18-8)5-17-19(15)16;10-9(7(16)6(15)4(3-13)18-9)12-2-1-5(14)11-8(12)17/h4,7-8H,2-3,5H2,1H3;1-2,4,6-7,13,15-16H,3H2,(H,11,14,17)/q-1;/p+2/t7-,8+;4-,6-,7-,9+/m01/s1
InChI Key:
DODQUPDESWOMNK-UDLWFHRCSA-P
SMILES:
OP(=O)OC[C@@H]1CC[C@@H](O1)n1cc(C)c(=O)[nH]c1=O.OC[C@H]1O[C@@]([C@@H]([C@@H]1O)O)(F)n1ccc(=O)[nH]c1=O
Properties
Complexity:
867
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
551.119g/mol
Formal Charge:
1
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
551.397g/mol
Monoisotopic Mass:
551.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.