(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane

C41H44O5 — CID 11072183

IUPAC(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
SMILESC=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCC=C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1CC=C
InChIInChI=1S/C41H44O5/c1-4-19-36-38(42-28-5-2)40(44-30-32-20-11-7-12-21-32)39(43-29-6-3)37(46-36)31-45-41(33-22-13-8-14-23-33,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h4-18,20-27,36-40H,1-3,19,28-31H2/t36-,37+,38-,39+,40+/m0/s1
InChIKeyJMAQRFOQMUMSME-WBHVZLLVSA-N
MW616.80 g/mol
LogP8.07
Rot. Bonds17

About (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane

(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane (PubChem CID 11072183) has the molecular formula C41H44O5 and a molecular weight of 616.80 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
PubChem CID11072183
Molecular FormulaC41H44O5
Molecular Weight616.80 g/mol
Exact Mass616.32
IUPAC Name(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
SMILESC=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCC=C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1CC=C
InChIInChI=1S/C41H44O5/c1-4-19-36-38(42-28-5-2)40(44-30-32-20-11-7-12-21-32)39(43-29-6-3)37(46-36)31-45-41(33-22-13-8-14-23-33,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h4-18,20-27,36-40H,1-3,19,28-31H2/t36-,37+,38-,39+,40+/m0/s1
InChIKeyJMAQRFOQMUMSME-WBHVZLLVSA-N
XLogP8.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.80
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 14464068
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-prop-2-enoxyoxane
CID 11804008
(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
CID 14655276
(2S,3R,4S,5R,6R)-5-phenoxy-3,4-bis(phenylmethoxy)-6-(trityloxymethyl)oxane-2-thiol
CID 87877938

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane?
The IUPAC name of (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane (CID 11072183) is (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane.
What is the SMILES notation for (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane?
The canonical SMILES for (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane is C=CCO[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCC=C)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1CC=C.
What is the InChIKey of (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane?
The InChIKey is JMAQRFOQMUMSME-WBHVZLLVSA-N. The full InChI is InChI=1S/C41H44O5/c1-4-19-36-38(42-28-5-2)40(44-30-32-20-11-7-12-21-32)39(43-29-6-3)37(46-36)31-45-41(33-22-13-8-14-23-33,34-24-15-9-16-25-34)35-26-17-10-18-27-35/h4-18,20-27,36-40H,1-3,19,28-31H2/t36-,37+,38-,39+,40+/m0/s1.
What are the key properties of (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane?
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane has a molecular weight of 616.80 g/mol, XLogP of 8.07, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane is sourced from PubChem (CID 11072183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).