diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate

C26H29O9P — CID 20688928

IUPACdiphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate
SMILESO=P(OC[C@H]1OC(OCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H29O9P/c27-23-22(33-26(25(29)24(23)28)31-17-16-19-10-4-1-5-11-19)18-32-36(30,34-20-12-6-2-7-13-20)35-21-14-8-3-9-15-21/h1-15,22-29H,16-18H2/t22-,23-,24+,25+,26?/m1/s1
InChIKeyWEHSYOXIGIRXAV-APQRZRNDSA-N
MW516.48 g/mol
LogP3.34
Rot. Bonds11

About diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate

diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate (PubChem CID 20688928) has the molecular formula C26H29O9P and a molecular weight of 516.48 g/mol. Its IUPAC name is diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate.

Molecular Properties

Compound Namediphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate
PubChem CID20688928
Molecular FormulaC26H29O9P
Molecular Weight516.48 g/mol
Exact Mass516.15
IUPAC Namediphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate
SMILESO=P(OC[C@H]1OC(OCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H29O9P/c27-23-22(33-26(25(29)24(23)28)31-17-16-19-10-4-1-5-11-19)18-32-36(30,34-20-12-6-2-7-13-20)35-21-14-8-3-9-15-21/h1-15,22-29H,16-18H2/t22-,23-,24+,25+,26?/m1/s1
InChIKeyWEHSYOXIGIRXAV-APQRZRNDSA-N
XLogP3.34
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.48
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S,6S)-2-(2-phenylethoxy)-6-[[(2S,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 162882757
diphenyl [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40S,41S,42S,43S,44S,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-10-yl]methyl phosphate
CID 15968229
[(2S,3S,4R,5R)-5-(diphenoxyphosphoryloxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl-[hydroxy(phenoxy)phosphoryl]oxyphosphinic acid
CID 11422925
diamino [(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-phenylphenoxy)oxan-2-yl]methyl phosphate
CID 132548375
[azaniumyloxy-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(4-phenylphenoxy)oxan-2-yl]methoxy]phosphoryl]oxyazanium
CID 132548374
(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(5-phenylpentoxy)oxane-3,4,5-triol
CID 102065433
[(2R,3R,4S,5S,6S)-4,5,6-triacetyloxy-2-(diphenoxyphosphoryloxymethyl)oxan-3-yl] acetate
CID 71752382
(2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 11972324
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[2-(4-methoxyphenyl)ethoxy]oxane-3,4,5-triol
CID 172883416
2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxyoxane-3,4,5-triol
CID 162919273
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-phenoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54569433
(3R,4S,5S,6R)-2-phenylmethoxy-6-[[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
CID 163193773

Frequently Asked Questions

What is the IUPAC name of diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate?
The IUPAC name of diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate (CID 20688928) is diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate.
What is the SMILES notation for diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate?
The canonical SMILES for diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate is O=P(OC[C@H]1OC(OCCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate?
The InChIKey is WEHSYOXIGIRXAV-APQRZRNDSA-N. The full InChI is InChI=1S/C26H29O9P/c27-23-22(33-26(25(29)24(23)28)31-17-16-19-10-4-1-5-11-19)18-32-36(30,34-20-12-6-2-7-13-20)35-21-14-8-3-9-15-21/h1-15,22-29H,16-18H2/t22-,23-,24+,25+,26?/m1/s1.
What are the key properties of diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate?
diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate has a molecular weight of 516.48 g/mol, XLogP of 3.34, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl [(2R,3S,4S,5S)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methyl phosphate is sourced from PubChem (CID 20688928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).