(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol

C23H28O6 — CID 11741715

IUPAC(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol
SMILESC=CC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C23H28O6/c1-2-13-23(19(25)14-24)21(28-16-18-11-7-4-8-12-18)20(22(26)29-23)27-15-17-9-5-3-6-10-17/h2-12,19-22,24-26H,1,13-16H2/t19-,20-,21-,22?,23+/m1/s1
InChIKeyUZKYRSSDEJLBMW-WGAPZLIBSA-N
MW400.47 g/mol
LogP2.17
Rot. Bonds10

About (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol (PubChem CID 11741715) has the molecular formula C23H28O6 and a molecular weight of 400.47 g/mol. Its IUPAC name is (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol
PubChem CID11741715
Molecular FormulaC23H28O6
Molecular Weight400.47 g/mol
Exact Mass400.19
IUPAC Name(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol
SMILESC=CC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C23H28O6/c1-2-13-23(19(25)14-24)21(28-16-18-11-7-4-8-12-18)20(22(26)29-23)27-15-17-9-5-3-6-10-17/h2-12,19-22,24-26H,1,13-16H2/t19-,20-,21-,22?,23+/m1/s1
InChIKeyUZKYRSSDEJLBMW-WGAPZLIBSA-N
XLogP2.17
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 10077716
methyl (2S)-2-hydroxy-2-[(2S,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 146028647
methyl (2S)-2-hydroxy-2-[(2S,4S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 91158984
methyl (2S)-2-hydroxy-2-[(2S,4R,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 59531307
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
(3R,4R,5R,6S)-6-ethenyl-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 100977031
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(2S,3S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3-bis(prop-2-enyl)oxan-3-ol
CID 102423574
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
methyl (2S)-2-(benzylamino)-2-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-yl]acetate
CID 102423413

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol (CID 11741715) is (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol is C=CC[C@@]1([C@H](O)CO)OC(O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is UZKYRSSDEJLBMW-WGAPZLIBSA-N. The full InChI is InChI=1S/C23H28O6/c1-2-13-23(19(25)14-24)21(28-16-18-11-7-4-8-12-18)20(22(26)29-23)27-15-17-9-5-3-6-10-17/h2-12,19-22,24-26H,1,13-16H2/t19-,20-,21-,22?,23+/m1/s1.
What are the key properties of (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 400.47 g/mol, XLogP of 2.17, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3R,4R)-5-hydroxy-3,4-bis(phenylmethoxy)-2-prop-2-enyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11741715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).