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

C34H34N2O5 — CID 11017093

IUPAC(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESc1ccc(COC[C@H]2OC3(N=N3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H34N2O5/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/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyPQUDKFDUYILFBK-NXVJRICRSA-N
MW550.66 g/mol
LogP6.48
Rot. Bonds13

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

(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 11017093) has the molecular formula C34H34N2O5 and a molecular weight of 550.66 g/mol. Its IUPAC name is (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID11017093
Molecular FormulaC34H34N2O5
Molecular Weight550.66 g/mol
Exact Mass550.25
IUPAC Name(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESc1ccc(COC[C@H]2OC3(N=N3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C34H34N2O5/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/h1-20,30-33H,21-25H2/t30-,31-,32+,33-/m1/s1
InChIKeyPQUDKFDUYILFBK-NXVJRICRSA-N
XLogP6.48
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene with MolForge

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Related Compounds

(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11092955
(2S,3S,4S,5S,6R)-3-azido-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2lambda5-oxaphosphinane 2-oxide
CID 70687983
(2S,3R,4S,5S,6R)-3-azido-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2lambda5-oxaphosphinane 2-oxide
CID 70692171
(2R,3R,4R,5S)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 11800221
(2S,3R,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11699739
(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]octane
CID 14428702
2-Methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 3855330
(2R,3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 10554074
(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 10897046
2,6-Anhydro-1-deoxy-3,4,5,7-tetra-O-benzyl-D-gluco-hept-1-enitol
CID 11060545
(2R,3R,4S,5R,6R)-2-azido-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxane
CID 11060794
(2R,3S,4R,5R,6R)-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 14157743

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]oct-1-ene?
The IUPAC name of (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene (CID 11017093) is (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for (5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene is c1ccc(COC[C@H]2OC3(N=N3)[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]oct-1-ene?
The InChIKey is PQUDKFDUYILFBK-NXVJRICRSA-N. The full InChI is InChI=1S/C34H34N2O5/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/h1-20,30-33H,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]oct-1-ene?
(5R,6R,7S,8R)-6,7,8-tris(phenylmethoxy)-5-(phenylmethoxymethyl)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 550.66 g/mol, XLogP of 6.48, 13 rotatable bonds, 0 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]oct-1-ene is sourced from PubChem (CID 11017093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).