(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol

C33H38O5 — CID 102423574

IUPAC(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@]1(O)CC=C
InChIInChI=1S/C33H38O5/c1-3-14-30-33(34,21-4-2)32(37-24-28-19-12-7-13-20-28)31(36-23-27-17-10-6-11-18-27)29(38-30)25-35-22-26-15-8-5-9-16-26/h3-13,15-20,29-32,34H,1-2,14,21-25H2/t29-,30+,31?,32+,33+/m1/s1
InChIKeyMNWVUIIWDIAOPF-BNYUHHSCSA-N
MW514.66 g/mol
LogP6.02
Rot. Bonds14

About (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol

(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol (PubChem CID 102423574) has the molecular formula C33H38O5 and a molecular weight of 514.66 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol
PubChem CID102423574
Molecular FormulaC33H38O5
Molecular Weight514.66 g/mol
Exact Mass514.27
IUPAC Name(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol
SMILESC=CC[C@@H]1O[C@H](COCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@]1(O)CC=C
InChIInChI=1S/C33H38O5/c1-3-14-30-33(34,21-4-2)32(37-24-28-19-12-7-13-20-28)31(36-23-27-17-10-6-11-18-27)29(38-30)25-35-22-26-15-8-5-9-16-26/h3-13,15-20,29-32,34H,1-2,14,21-25H2/t29-,30+,31?,32+,33+/m1/s1
InChIKeyMNWVUIIWDIAOPF-BNYUHHSCSA-N
XLogP6.02
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.66
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
(2S,3S,4R,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-(prop-2-enylamino)oxolan-2-ol
CID 25023230
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
(2S,3R,4R,5R)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-prop-2-enyloxolane
CID 166519075
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol?
The IUPAC name of (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol (CID 102423574) is (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol?
The canonical SMILES for (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol is C=CC[C@@H]1O[C@H](COCc2ccccc2)C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@]1(O)CC=C.
What is the InChIKey of (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol?
The InChIKey is MNWVUIIWDIAOPF-BNYUHHSCSA-N. The full InChI is InChI=1S/C33H38O5/c1-3-14-30-33(34,21-4-2)32(37-24-28-19-12-7-13-20-28)31(36-23-27-17-10-6-11-18-27)29(38-30)25-35-22-26-15-8-5-9-16-26/h3-13,15-20,29-32,34H,1-2,14,21-25H2/t29-,30+,31?,32+,33+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol?
(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol has a molecular weight of 514.66 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol is sourced from PubChem (CID 102423574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).