(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran

C37H40O6 — CID 54589661

IUPAC(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran
SMILESCO[C@]1(COCc2ccccc2)OC(CCOCc2ccccc2)=C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C37H40O6/c1-38-37(29-40-26-31-16-8-3-9-17-31)36(42-28-33-20-12-5-13-21-33)35(41-27-32-18-10-4-11-19-32)24-34(43-37)22-23-39-25-30-14-6-2-7-15-30/h2-21,24,35-36H,22-23,25-29H2,1H3/t35-,36-,37+/m0/s1
InChIKeyKBAVDBCSJBNJAR-AGSXMJPOSA-N
MW580.72 g/mol
LogP7.24
Rot. Bonds16

About (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran

(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran (PubChem CID 54589661) has the molecular formula C37H40O6 and a molecular weight of 580.72 g/mol. Its IUPAC name is (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran.

Molecular Properties

Compound Name(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran
PubChem CID54589661
Molecular FormulaC37H40O6
Molecular Weight580.72 g/mol
Exact Mass580.28
IUPAC Name(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran
SMILESCO[C@]1(COCc2ccccc2)OC(CCOCc2ccccc2)=C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C37H40O6/c1-38-37(29-40-26-31-16-8-3-9-17-31)36(42-28-33-20-12-5-13-21-33)35(41-27-32-18-10-4-11-19-32)24-34(43-37)22-23-39-25-30-14-6-2-7-15-30/h2-21,24,35-36H,22-23,25-29H2,1H3/t35-,36-,37+/m0/s1
InChIKeyKBAVDBCSJBNJAR-AGSXMJPOSA-N
XLogP7.24
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.72
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5S)-5-methoxy-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]methanol
CID 18647750
(2S,3S,4S)-2-ethenyl-5-methylidene-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxolane
CID 24769812
(2R,3S,4R,5S,6R)-6-methyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 134856100
(3S,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-2-ol
CID 14427833
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)-2-methoxy-3-phenylmethoxyoxan-4-ol
CID 15756112
[4,4-dimethoxy-1-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 134289630
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
(2S,3R,4S,5S,6R)-2-ethenyl-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 122227332
(3aR,6S,6aR)-5-ethenyl-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 66892493
2-[2-[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[2-(2-phenylmethoxyethoxy)ethoxy]cyclohexyl]oxyethoxy]ethoxymethylbenzene
CID 10941970

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran?
The IUPAC name of (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran (CID 54589661) is (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran.
What is the SMILES notation for (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran?
The canonical SMILES for (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran is CO[C@]1(COCc2ccccc2)OC(CCOCc2ccccc2)=C[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran?
The InChIKey is KBAVDBCSJBNJAR-AGSXMJPOSA-N. The full InChI is InChI=1S/C37H40O6/c1-38-37(29-40-26-31-16-8-3-9-17-31)36(42-28-33-20-12-5-13-21-33)35(41-27-32-18-10-4-11-19-32)24-34(43-37)22-23-39-25-30-14-6-2-7-15-30/h2-21,24,35-36H,22-23,25-29H2,1H3/t35-,36-,37+/m0/s1.
What are the key properties of (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran?
(2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran has a molecular weight of 580.72 g/mol, XLogP of 7.24, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(2-phenylmethoxyethyl)-2-(phenylmethoxymethyl)-3,4-dihydropyran is sourced from PubChem (CID 54589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).