2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole

C42H41NO5 — CID 11296656

IUPAC2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole
SMILESc1ccc(COC[C@H]2O[C@H](c3cc4ccccc4[nH]3)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C42H41NO5/c1-5-15-31(16-6-1)26-44-30-38-40(45-27-32-17-7-2-8-18-32)42(47-29-34-21-11-4-12-22-34)41(46-28-33-19-9-3-10-20-33)39(48-38)37-25-35-23-13-14-24-36(35)43-37/h1-25,38-43H,26-30H2/t38-,39-,40-,41-,42+/m1/s1
InChIKeyKOWYLKDOLHMQFL-MHBOMZLCSA-N
MW639.79 g/mol
LogP8.58
Rot. Bonds14

About 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole

2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole (PubChem CID 11296656) has the molecular formula C42H41NO5 and a molecular weight of 639.79 g/mol. Its IUPAC name is 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole
PubChem CID11296656
Molecular FormulaC42H41NO5
Molecular Weight639.79 g/mol
Exact Mass639.30
IUPAC Name2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole
SMILESc1ccc(COC[C@H]2O[C@H](c3cc4ccccc4[nH]3)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C42H41NO5/c1-5-15-31(16-6-1)26-44-30-38-40(45-27-32-17-7-2-8-18-32)42(47-29-34-21-11-4-12-22-34)41(46-28-33-19-9-3-10-20-33)39(48-38)37-25-35-23-13-14-24-36(35)43-37/h1-25,38-43H,26-30H2/t38-,39-,40-,41-,42+/m1/s1
InChIKeyKOWYLKDOLHMQFL-MHBOMZLCSA-N
XLogP8.58
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.79
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole with MolForge

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Related Compounds

(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041
(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-thiol
CID 102081049
(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-amine
CID 24795389
1-methyl-2-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]indole
CID 15726287
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 175374479
(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-thiol
CID 102407549
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
(2S,3R,4R,5R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-amine
CID 171557955

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole?
The IUPAC name of 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole (CID 11296656) is 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole.
What is the SMILES notation for 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole?
The canonical SMILES for 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole is c1ccc(COC[C@H]2O[C@H](c3cc4ccccc4[nH]3)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole?
The InChIKey is KOWYLKDOLHMQFL-MHBOMZLCSA-N. The full InChI is InChI=1S/C42H41NO5/c1-5-15-31(16-6-1)26-44-30-38-40(45-27-32-17-7-2-8-18-32)42(47-29-34-21-11-4-12-22-34)41(46-28-33-19-9-3-10-20-33)39(48-38)37-25-35-23-13-14-24-36(35)43-37/h1-25,38-43H,26-30H2/t38-,39-,40-,41-,42+/m1/s1.
What are the key properties of 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole?
2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole has a molecular weight of 639.79 g/mol, XLogP of 8.58, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]-1H-indole is sourced from PubChem (CID 11296656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).