(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C36H40N2O6 — CID 101123709

IUPAC(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESN/N=C/C[C@]1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H40N2O6/c37-38-22-21-36(39)35(43-26-31-19-11-4-12-20-31)34(42-25-30-17-9-3-10-18-30)33(41-24-29-15-7-2-8-16-29)32(44-36)27-40-23-28-13-5-1-6-14-28/h1-20,22,32-35,39H,21,23-27,37H2/b38-22+/t32-,33-,34+,35-,36+/m1/s1
InChIKeyVIDJGAAPXKSFBW-DIRFUMPUSA-N
MW596.72 g/mol
LogP5.38
Rot. Bonds15

About (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 101123709) has the molecular formula C36H40N2O6 and a molecular weight of 596.72 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID101123709
Molecular FormulaC36H40N2O6
Molecular Weight596.72 g/mol
Exact Mass596.29
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESN/N=C/C[C@]1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H40N2O6/c37-38-22-21-36(39)35(43-26-31-19-11-4-12-20-31)34(42-25-30-17-9-3-10-18-30)33(41-24-29-15-7-2-8-16-29)32(44-36)27-40-23-28-13-5-1-6-14-28/h1-20,22,32-35,39H,21,23-27,37H2/b38-22+/t32-,33-,34+,35-,36+/m1/s1
InChIKeyVIDJGAAPXKSFBW-DIRFUMPUSA-N
XLogP5.38
TPSA104.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.72
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-2-ol
CID 11273229
(3R,4S,5R,6R)-2-ethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 14445991
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
(3R,4S,5R,6R)-2-ethenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 101091855
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2,2-bis(prop-2-enyl)oxane
CID 11422071
(1S,2S,3R,4R,6S,9S,10S,11S,12R,13R)-1,2,3,10,11,12-hexakis(phenylmethoxy)-4,13-bis(phenylmethoxymethyl)-5,8,14,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 101140893
(3R,4S,5R,6R)-2-chloro-2-methyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 58018263
methyl (2R,5R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 135042253
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
2,2-difluoro-2-[(2R,3R,4S,5R,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 25111747
(5S,8R)-8,9,10-tris(phenylmethoxy)-7-(phenylmethoxymethyl)-1,6-dioxaspiro[4.5]dec-2-ene
CID 134833756
[(2S,3R,4S,5R,6R)-2-ethoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 15756018

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 101123709) is (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is N/N=C/C[C@]1(O)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is VIDJGAAPXKSFBW-DIRFUMPUSA-N. The full InChI is InChI=1S/C36H40N2O6/c37-38-22-21-36(39)35(43-26-31-19-11-4-12-20-31)34(42-25-30-17-9-3-10-18-30)33(41-24-29-15-7-2-8-16-29)32(44-36)27-40-23-28-13-5-1-6-14-28/h1-20,22,32-35,39H,21,23-27,37H2/b38-22+/t32-,33-,34+,35-,36+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
(2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 596.72 g/mol, XLogP of 5.38, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-[(2E)-2-hydrazinylideneethyl]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 101123709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).