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

C30H30O6P2 — CID 87601756

IUPAC(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
SMILESOC[C@H]1O[C@@H](O)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C30H30O6P2/c31-21-26-27(32)28(35-37(22-13-5-1-6-14-22)23-15-7-2-8-16-23)29(30(33)34-26)36-38(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-33H,21H2/t26-,27-,28+,29-,30-/m1/s1
InChIKeyXNFVZZXVKXXMCY-CMPUJJQDSA-N
MW548.51 g/mol
LogP2.92
Rot. Bonds9

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

(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol (PubChem CID 87601756) has the molecular formula C30H30O6P2 and a molecular weight of 548.51 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
PubChem CID87601756
Molecular FormulaC30H30O6P2
Molecular Weight548.51 g/mol
Exact Mass548.15
IUPAC Name(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol
SMILESOC[C@H]1O[C@@H](O)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1O
InChIInChI=1S/C30H30O6P2/c31-21-26-27(32)28(35-37(22-13-5-1-6-14-22)23-15-7-2-8-16-23)29(30(33)34-26)36-38(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-33H,21H2/t26-,27-,28+,29-,30-/m1/s1
InChIKeyXNFVZZXVKXXMCY-CMPUJJQDSA-N
XLogP2.92
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.51
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol?
The IUPAC name of (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol (CID 87601756) is (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol?
The canonical SMILES for (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol is OC[C@H]1O[C@@H](O)[C@H](OP(c2ccccc2)c2ccccc2)[C@@H](OP(c2ccccc2)c2ccccc2)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol?
The InChIKey is XNFVZZXVKXXMCY-CMPUJJQDSA-N. The full InChI is InChI=1S/C30H30O6P2/c31-21-26-27(32)28(35-37(22-13-5-1-6-14-22)23-15-7-2-8-16-23)29(30(33)34-26)36-38(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-33H,21H2/t26-,27-,28+,29-,30-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol?
(2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol has a molecular weight of 548.51 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-3,4-bis(diphenylphosphanyloxy)-6-(hydroxymethyl)oxane-2,5-diol is sourced from PubChem (CID 87601756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).