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

C43H44O6 — CID 15947732

IUPAC(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
SMILESC=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44O6/c1-3-29-45-39-38(32-48-43(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)49-42(44-2)41(47-31-34-21-11-5-12-22-34)40(39)46-30-33-19-9-4-10-20-33/h3-28,38-42H,1,29-32H2,2H3/t38-,39-,40+,41-,42+/m1/s1
InChIKeyQNPJIUMXRCFBCX-DJLQKWJRSA-N
MW656.82 g/mol
LogP8.11
Rot. Bonds16

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

(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane (PubChem CID 15947732) has the molecular formula C43H44O6 and a molecular weight of 656.82 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
PubChem CID15947732
Molecular FormulaC43H44O6
Molecular Weight656.82 g/mol
Exact Mass656.31
IUPAC Name(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
SMILESC=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H44O6/c1-3-29-45-39-38(32-48-43(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)49-42(44-2)41(47-31-34-21-11-5-12-22-34)40(39)46-30-33-19-9-4-10-20-33/h3-28,38-42H,1,29-32H2,2H3/t38-,39-,40+,41-,42+/m1/s1
InChIKeyQNPJIUMXRCFBCX-DJLQKWJRSA-N
XLogP8.11
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.82
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
(2S,3S,4S,5R,6R)-2-methoxy-6-[[(2-methoxyphenyl)-diphenylmethoxy]methyl]-3,4,5-tris(phenylmethoxy)oxane
CID 70896291
(2R,3R,4R,5R,6R)-3-azido-4,5-bis(phenylmethoxy)-2-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 14464068
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4S,5S,6R)-2-methoxy-5-phenylmethoxy-6-(phenylmethoxymethyl)-3-prop-2-enoxyoxan-4-ol
CID 100923922
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
8-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-yl]oxyoctan-1-ol
CID 71814240
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane?
The IUPAC name of (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane (CID 15947732) is (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane is C=CCO[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OC)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane?
The InChIKey is QNPJIUMXRCFBCX-DJLQKWJRSA-N. The full InChI is InChI=1S/C43H44O6/c1-3-29-45-39-38(32-48-43(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)49-42(44-2)41(47-31-34-21-11-5-12-22-34)40(39)46-30-33-19-9-4-10-20-33/h3-28,38-42H,1,29-32H2,2H3/t38-,39-,40+,41-,42+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane?
(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane has a molecular weight of 656.82 g/mol, XLogP of 8.11, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane is sourced from PubChem (CID 15947732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).