(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide

C26H29O6P — CID 10790441

IUPAC(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide
SMILESCO[P@]1(=O)OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H29O6P/c1-28-33(27)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-33)29-17-21-11-5-2-6-12-21/h2-16,24-26H,17-20H2,1H3/t24-,25+,26+,33+/m1/s1
InChIKeyKRGYWOLCWCHFGL-FYZNHFMZSA-N
MW468.49 g/mol
LogP5.57
Rot. Bonds10

About (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide

(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 10790441) has the molecular formula C26H29O6P and a molecular weight of 468.49 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide
PubChem CID10790441
Molecular FormulaC26H29O6P
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide
SMILESCO[P@]1(=O)OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H29O6P/c1-28-33(27)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-33)29-17-21-11-5-2-6-12-21/h2-16,24-26H,17-20H2,1H3/t24-,25+,26+,33+/m1/s1
InChIKeyKRGYWOLCWCHFGL-FYZNHFMZSA-N
XLogP5.57
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide with MolForge

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Related Compounds

[(5S,7R,8R,9S)-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] methanesulfonate
CID 11070361
[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-methoxy-2-oxo-4,5-bis(phenylmethoxy)-1,2λ5-oxaphosphinan-3-yl] acetate
CID 71814775
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2R,3R,4S)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 25208780
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2S,3R,4S,5R)-2-chloro-3,4,5-tris(phenylmethoxy)oxane
CID 129175845
[3,4,5-tris(phenylmethoxy)oxan-2-yl] acetate
CID 73019389
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
[(2S,3R,4R,5S)-4,5-diacetyloxy-1-methoxy-1-oxo-2-phenylmethoxy-1λ5-phospholan-3-yl] acetate
CID 134930068
(3R,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 122386595
(3R,4S,5R)-N-benzyl-3,4,5-tris(phenylmethoxy)oxan-2-amine
CID 71524271

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide (CID 10790441) is (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide is CO[P@]1(=O)OC[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is KRGYWOLCWCHFGL-FYZNHFMZSA-N. The full InChI is InChI=1S/C26H29O6P/c1-28-33(27)26(31-19-23-15-9-4-10-16-23)25(30-18-22-13-7-3-8-14-22)24(20-32-33)29-17-21-11-5-2-6-12-21/h2-16,24-26H,17-20H2,1H3/t24-,25+,26+,33+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide?
(2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 468.49 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2-methoxy-3,4,5-tris(phenylmethoxy)-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 10790441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).