(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C30H34O7 — CID 134865888

IUPAC(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESOC1C(OC[C@H]2CO2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H34O7/c31-27-29(35-18-24-14-8-3-9-15-24)28(34-17-23-12-6-2-7-13-23)26(37-30(27)36-20-25-19-33-25)21-32-16-22-10-4-1-5-11-22/h1-15,25-31H,16-21H2/t25-,26?,27?,28-,29?,30?/m1/s1
InChIKeyGUXOCKHQDANGCN-DXHYLLIWSA-N
MW506.60 g/mol
LogP3.88
Rot. Bonds13

About (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 134865888) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID134865888
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESOC1C(OC[C@H]2CO2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C30H34O7/c31-27-29(35-18-24-14-8-3-9-15-24)28(34-17-23-12-6-2-7-13-23)26(37-30(27)36-20-25-19-33-25)21-32-16-22-10-4-1-5-11-22/h1-15,25-31H,16-21H2/t25-,26?,27?,28-,29?,30?/m1/s1
InChIKeyGUXOCKHQDANGCN-DXHYLLIWSA-N
XLogP3.88
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11092535
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 100926714
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4S,5R,6R)-3-[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 87498109

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 134865888) is (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is OC1C(OC[C@H]2CO2)OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is GUXOCKHQDANGCN-DXHYLLIWSA-N. The full InChI is InChI=1S/C30H34O7/c31-27-29(35-18-24-14-8-3-9-15-24)28(34-17-23-12-6-2-7-13-23)26(37-30(27)36-20-25-19-33-25)21-32-16-22-10-4-1-5-11-22/h1-15,25-31H,16-21H2/t25-,26?,27?,28-,29?,30?/m1/s1.
What are the key properties of (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 506.60 g/mol, XLogP of 3.88, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 134865888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).