(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

C34H34N4O4 — CID 10995319

IUPAC(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESc1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)c3nnnn32)cc1
InChIInChI=1S/C34H34N4O4/c1-5-13-26(14-6-1)21-39-25-30-31(40-22-27-15-7-2-8-16-27)32(41-23-28-17-9-3-10-18-28)33(34-35-36-37-38(30)34)42-24-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyOKFWHUNZJSAYLW-NXVJRICRSA-N
MW562.67 g/mol
LogP5.87
Rot. Bonds13

About (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine

(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (PubChem CID 10995319) has the molecular formula C34H34N4O4 and a molecular weight of 562.67 g/mol. Its IUPAC name is (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
PubChem CID10995319
Molecular FormulaC34H34N4O4
Molecular Weight562.67 g/mol
Exact Mass562.26
IUPAC Name(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine
SMILESc1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)c3nnnn32)cc1
InChIInChI=1S/C34H34N4O4/c1-5-13-26(14-6-1)21-39-25-30-31(40-22-27-15-7-2-8-16-27)32(41-23-28-17-9-3-10-18-28)33(34-35-36-37-38(30)34)42-24-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyOKFWHUNZJSAYLW-NXVJRICRSA-N
XLogP5.87
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,3S,4R,5S)-1-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)pyrrolidin-2-yl]methanol
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CID 24864608
(2R,3R,5R,6R)-2,3-dihydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidine-1-carboxylic acid
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(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(2S,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-1-propylpiperidine
CID 158056733
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
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CID 134832144
5-methyl-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
CID 85318993
(2S,3R,4R,5S)-1-butyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 69117610
(1S,2S,3S,5S,8S)-5-methyl-1,2-bis(phenylmethoxy)-3-(phenylmethoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 46188980
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The IUPAC name of (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine (CID 10995319) is (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine.
What is the SMILES notation for (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The canonical SMILES for (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is c1ccc(COC[C@@H]2[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)c3nnnn32)cc1.
What is the InChIKey of (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
The InChIKey is OKFWHUNZJSAYLW-NXVJRICRSA-N. The full InChI is InChI=1S/C34H34N4O4/c1-5-13-26(14-6-1)21-39-25-30-31(40-22-27-15-7-2-8-16-27)32(41-23-28-17-9-3-10-18-28)33(34-35-36-37-38(30)34)42-24-29-19-11-4-12-20-29/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1.
What are the key properties of (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine?
(5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine has a molecular weight of 562.67 g/mol, XLogP of 5.87, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8S)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-5,6,7,8-tetrahydrotetrazolo[1,5-a]pyridine is sourced from PubChem (CID 10995319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).