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

C33H32N2O5 — CID 10886007

IUPAC(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESc1ccc(CO[C@H]2OC3(N=N3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H32N2O5/c1-5-13-25(14-6-1)21-36-29-30(37-22-26-15-7-2-8-16-26)32(39-24-28-19-11-4-12-20-28)40-33(34-35-33)31(29)38-23-27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31+,32-/m0/s1
InChIKeyKCQWEGIMMMYIEW-IHZBLBIESA-N
MW536.63 g/mol
LogP6.44
Rot. Bonds12

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

(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene (PubChem CID 10886007) has the molecular formula C33H32N2O5 and a molecular weight of 536.63 g/mol. Its IUPAC name is (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
PubChem CID10886007
Molecular FormulaC33H32N2O5
Molecular Weight536.63 g/mol
Exact Mass536.23
IUPAC Name(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
SMILESc1ccc(CO[C@H]2OC3(N=N3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H32N2O5/c1-5-13-25(14-6-1)21-36-29-30(37-22-26-15-7-2-8-16-26)32(39-24-28-19-11-4-12-20-28)40-33(34-35-33)31(29)38-23-27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31+,32-/m0/s1
InChIKeyKCQWEGIMMMYIEW-IHZBLBIESA-N
XLogP6.44
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(5S,7R,8R)-7-methoxy-8,9,10-tris(phenylmethoxy)-1,6-dioxaspiro[4.5]dec-2-ene
CID 135069642
[(1R,2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-5-yl]methanol
CID 102472874
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
(3S,4R,5S,6R)-6-ethyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane-2-thiol
CID 139851965
(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 102374432
[(1S,2S,3S,4S)-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-1-yl]methanol
CID 174043893
(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
CID 56606677
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
3,4,5-tris(phenylmethoxy)oxolan-2-one
CID 85325840

Frequently Asked Questions

What is the IUPAC name of (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The IUPAC name of (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene (CID 10886007) is (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene.
What is the SMILES notation for (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The canonical SMILES for (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene is c1ccc(CO[C@H]2OC3(N=N3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene?
The InChIKey is KCQWEGIMMMYIEW-IHZBLBIESA-N. The full InChI is InChI=1S/C33H32N2O5/c1-5-13-25(14-6-1)21-36-29-30(37-22-26-15-7-2-8-16-26)32(39-24-28-19-11-4-12-20-28)40-33(34-35-33)31(29)38-23-27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30-,31+,32-/m0/s1.
What are the key properties of (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene?
(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene has a molecular weight of 536.63 g/mol, XLogP of 6.44, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene is sourced from PubChem (CID 10886007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).