(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane

C34H36N2O5 — CID 14428702

IUPAC(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane
SMILESc1ccc(COC[C@H]2OC3(NN3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36N2O5/c1-5-13-26(14-6-1)21-37-25-30-31(38-22-27-15-7-2-8-16-27)32(39-23-28-17-9-3-10-18-28)33(34(41-30)35-36-34)40-24-29-19-11-4-12-20-29/h1-20,30-33,35-36H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyOJJWKAQBZNCYSH-NXVJRICRSA-N
MW552.67 g/mol
LogP5.12
Rot. Bonds13

About (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane

(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane (PubChem CID 14428702) has the molecular formula C34H36N2O5 and a molecular weight of 552.67 g/mol. Its IUPAC name is (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane.

Molecular Properties

Compound Name(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane
PubChem CID14428702
Molecular FormulaC34H36N2O5
Molecular Weight552.67 g/mol
Exact Mass552.26
IUPAC Name(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane
SMILESc1ccc(COC[C@H]2OC3(NN3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H36N2O5/c1-5-13-26(14-6-1)21-37-25-30-31(38-22-27-15-7-2-8-16-27)32(39-23-28-17-9-3-10-18-28)33(34(41-30)35-36-34)40-24-29-19-11-4-12-20-29/h1-20,30-33,35-36H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyOJJWKAQBZNCYSH-NXVJRICRSA-N
XLogP5.12
TPSA90.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane?
The IUPAC name of (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane (CID 14428702) is (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane.
What is the SMILES notation for (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane?
The canonical SMILES for (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane is c1ccc(COC[C@H]2OC3(NN3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane?
The InChIKey is OJJWKAQBZNCYSH-NXVJRICRSA-N. The full InChI is InChI=1S/C34H36N2O5/c1-5-13-26(14-6-1)21-37-25-30-31(38-22-27-15-7-2-8-16-27)32(39-23-28-17-9-3-10-18-28)33(34(41-30)35-36-34)40-24-29-19-11-4-12-20-29/h1-20,30-33,35-36H,21-25H2/t30-,31-,32+,33-/m1/s1.
What are the key properties of (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane?
(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane has a molecular weight of 552.67 g/mol, XLogP of 5.12, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane is sourced from PubChem (CID 14428702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).