[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium

C12H19O8P2+ — CID 70988505

IUPAC[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium
SMILESCOc1ccc(O[C@@H]2O[C@H](CO[P+](O)(O)P)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C12H19O8P2/c1-17-7-2-4-8(5-3-7)19-12-11(14)10(13)9(20-12)6-18-22(15,16)21/h2-5,9-16H,6,21H2,1H3/q+1/t9-,10-,11-,12-/m1/s1
InChIKeyLTCYHDVCDPWVFF-DDHJBXDOSA-N
MW353.22 g/mol
LogP0.07
Rot. Bonds6

About [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium

[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium (PubChem CID 70988505) has the molecular formula C12H19O8P2+ and a molecular weight of 353.22 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium
PubChem CID70988505
Molecular FormulaC12H19O8P2+
Molecular Weight353.22 g/mol
Exact Mass353.05
IUPAC Name[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium
SMILESCOc1ccc(O[C@@H]2O[C@H](CO[P+](O)(O)P)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C12H19O8P2/c1-17-7-2-4-8(5-3-7)19-12-11(14)10(13)9(20-12)6-18-22(15,16)21/h2-5,9-16H,6,21H2,1H3/q+1/t9-,10-,11-,12-/m1/s1
InChIKeyLTCYHDVCDPWVFF-DDHJBXDOSA-N
XLogP0.07
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631536
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90477358
[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methyl dihydrogen phosphate;phosphono dihydrogen phosphate
CID 159938600
[[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl] dihydroxyphosphanyl hydrogen phosphate
CID 143849699
(2R,3R,4S,5R)-2-(hydroxymethyl)-4-methoxy-6-(4-methoxyphenoxy)oxane-3,5-diol
CID 146660886
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
6-(4-methoxyphenoxy)-5-methyl-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 59863611
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
2-ethyl-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
CID 70910366
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methylphenoxy)oxolan-2-yl]methyl dihydrogen phosphate
CID 143849707

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium?
The IUPAC name of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium (CID 70988505) is [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium.
What is the SMILES notation for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium?
The canonical SMILES for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium is COc1ccc(O[C@@H]2O[C@H](CO[P+](O)(O)P)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium?
The InChIKey is LTCYHDVCDPWVFF-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H19O8P2/c1-17-7-2-4-8(5-3-7)19-12-11(14)10(13)9(20-12)6-18-22(15,16)21/h2-5,9-16H,6,21H2,1H3/q+1/t9-,10-,11-,12-/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium?
[(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium has a molecular weight of 353.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-3,4-dihydroxy-5-(4-methoxyphenoxy)oxolan-2-yl]methoxy-dihydroxy-phosphanylphosphanium is sourced from PubChem (CID 70988505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).