200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 148437-41-6
148437-41-6 | D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexyl)oxy]propyl hydrogen phosphate]
CAS No: 148437-41-6 Catalog No: AG001KXV MDL No:
Product Description
Catalog Number:
AG001KXV
Chemical Name:
D-myo-Inositol, 1-[(2R)-2,3-bis[(1-oxohexyl)oxy]propyl hydrogen phosphate]
CAS Number:
148437-41-6
Molecular Formula:
C21H39O13P
Molecular Weight:
530.5003
IUPAC Name:
[(2R)-2-hexanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexanoate
InChI:
InChI=1S/C21H39O13P/c1-3-5-7-9-14(22)31-11-13(33-15(23)10-8-6-4-2)12-32-35(29,30)34-21-19(27)17(25)16(24)18(26)20(21)28/h13,16-21,24-28H,3-12H2,1-2H3,(H,29,30)/t13-,16?,17-,18+,19+,20+,21?/m1/s1
InChI Key:
BYCNULBOTLVAKR-SBNMDPEDSA-N
SMILES:
CCCCCC(=O)O[C@@H](COP(=O)(OC1[C@@H](O)[C@H](O)C([C@@H]([C@@H]1O)O)O)O)COC(=O)CCCCC
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
530.213g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
530.504g/mol
Monoisotopic Mass:
530.213g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
210A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.