CAS 24809-02-7 | Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, bis(dihydrogen phosphate), (R*,S*)- (9CI) | CAS Number 24809-02-7

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24809-02-7 | Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, bis(dihydrogen phosphate), (R,S)- (9CI)

CAS No: 24809-02-7 Catalog No: AG002PIS MDL No:

Product Description

Catalog Number:

AG002PIS

Chemical Name:

Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, bis(dihydrogen phosphate), (R*,S*)- (9CI)

CAS Number:

24809-02-7

IUPAC Name:

[4-[(3S,4R)-4-(4-phosphonooxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate

InChI:

InChI=1S/C18H24O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/t17-,18+

InChI Key:

JBDIWCWZUDNWTL-HDICACEKSA-N

UNII:

30L14W008X

Properties

Complexity:

508

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

430.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

430.33g/mol

Monoisotopic Mass:

430.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

134A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.	Journal of medicinal chemistry 20081113