(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde

C42H40O7 — CID 102493039

IUPAC(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccc(OC)cc3)C(C=O)=CO[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H40O7/c1-44-37-22-18-31(19-23-37)27-47-40-33(26-43)29-46-39(41(40)48-28-32-20-24-38(45-2)25-21-32)30-49-42(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-26,29,39-41H,27-28,30H2,1-2H3/t39-,40-,41-/m1/s1
InChIKeyKYTROJLMFJURKT-MHEUVVKCSA-N
MW656.78 g/mol
LogP7.66
Rot. Bonds15

About (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde

(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde (PubChem CID 102493039) has the molecular formula C42H40O7 and a molecular weight of 656.78 g/mol. Its IUPAC name is (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde.

Molecular Properties

Compound Name(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
PubChem CID102493039
Molecular FormulaC42H40O7
Molecular Weight656.78 g/mol
Exact Mass656.28
IUPAC Name(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde
SMILESCOc1ccc(CO[C@H]2[C@H](OCc3ccc(OC)cc3)C(C=O)=CO[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H40O7/c1-44-37-22-18-31(19-23-37)27-47-40-33(26-43)29-46-39(41(40)48-28-32-20-24-38(45-2)25-21-32)30-49-42(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-26,29,39-41H,27-28,30H2,1-2H3/t39-,40-,41-/m1/s1
InChIKeyKYTROJLMFJURKT-MHEUVVKCSA-N
XLogP7.66
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.78
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
(2S,4R,4aS,6R,7S,8S,8aR)-2-(4-methoxyphenyl)-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-4-(trityloxymethyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 25170282
(1S,2R,3S,4S,5R)-2,3-bis[(4-methoxyphenyl)methoxy]-4,5-bis(phenylmethoxy)cyclopentane-1-carbaldehyde
CID 10579163
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-one
CID 10876392
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
5-fluoro-1-[(2R,4S,5R)-4-[(4-methoxyphenyl)methoxy]-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10722410
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The IUPAC name of (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde (CID 102493039) is (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde.
What is the SMILES notation for (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The canonical SMILES for (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde is COc1ccc(CO[C@H]2[C@H](OCc3ccc(OC)cc3)C(C=O)=CO[C@@H]2COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
The InChIKey is KYTROJLMFJURKT-MHEUVVKCSA-N. The full InChI is InChI=1S/C42H40O7/c1-44-37-22-18-31(19-23-37)27-47-40-33(26-43)29-46-39(41(40)48-28-32-20-24-38(45-2)25-21-32)30-49-42(34-12-6-3-7-13-34,35-14-8-4-9-15-35)36-16-10-5-11-17-36/h3-26,29,39-41H,27-28,30H2,1-2H3/t39-,40-,41-/m1/s1.
What are the key properties of (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde?
(2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde has a molecular weight of 656.78 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-3,4-bis[(4-methoxyphenyl)methoxy]-2-(trityloxymethyl)-3,4-dihydro-2H-pyran-5-carbaldehyde is sourced from PubChem (CID 102493039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).