(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol

C18H21O6P — CID 67777099

IUPAC(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OP(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H21O6P/c19-11-14-15(20)16(21)17(22)18(23-14)24-25(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-22H,11H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyYNRWIXYJDPFKNM-UYTYNIKBSA-N
MW364.33 g/mol
LogP-0.15
Rot. Bonds5

About (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 67777099) has the molecular formula C18H21O6P and a molecular weight of 364.33 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID67777099
Molecular FormulaC18H21O6P
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OP(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C18H21O6P/c19-11-14-15(20)16(21)17(22)18(23-14)24-25(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-22H,11H2/t14-,15-,16+,17-,18-/m1/s1
InChIKeyYNRWIXYJDPFKNM-UYTYNIKBSA-N
XLogP-0.15
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3S,4S)-2-(hydroxymethyl)-5-phenoxyoxolane-3,4-diol
CID 70003357
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
CID 87601756
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5S,6R)-2-benzhydryloxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101271138
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzoate
CID 90897756
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 742489
(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
CID 54540379

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 67777099) is (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1O[C@H](OP(c2ccccc2)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is YNRWIXYJDPFKNM-UYTYNIKBSA-N. The full InChI is InChI=1S/C18H21O6P/c19-11-14-15(20)16(21)17(22)18(23-14)24-25(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-22H,11H2/t14-,15-,16+,17-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 364.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-2-diphenylphosphanyloxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 67777099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).