(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol

C18H20N4O4 — CID 16637680

IUPAC(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol
SMILESOC[C@@H]1OC(=N\Nc2ccccc2)/C(=N/Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H20N4O4/c23-11-14-16(24)17(25)15(21-19-12-7-3-1-4-8-12)18(26-14)22-20-13-9-5-2-6-10-13/h1-10,14,16-17,19-20,23-25H,11H2/b21-15+,22-18-/t14-,16+,17-/m0/s1
InChIKeyIJSHSQIAXMECND-ZBAATXEJSA-N
MW356.38 g/mol
LogP0.99
Rot. Bonds5

About (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol

(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol (PubChem CID 16637680) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol
PubChem CID16637680
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol
SMILESOC[C@@H]1OC(=N\Nc2ccccc2)/C(=N/Nc2ccccc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H20N4O4/c23-11-14-16(24)17(25)15(21-19-12-7-3-1-4-8-12)18(26-14)22-20-13-9-5-2-6-10-13/h1-10,14,16-17,19-20,23-25H,11H2/b21-15+,22-18-/t14-,16+,17-/m0/s1
InChIKeyIJSHSQIAXMECND-ZBAATXEJSA-N
XLogP0.99
TPSA118.70 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-ylidene]amino] N-phenylcarbamate
CID 6921837
5-(1,2-dihydroxyethyl)-3,4-bis(phenylhydrazinylidene)oxolan-2-one
CID 3810559
(2S,3Z,5E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
CID 51055766
(2S,3E,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylhydrazinylidene)oxan-4-one
CID 39355098
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(2R,3S,5R)-5-anilino-2-(hydroxymethyl)oxolan-3-ol
CID 1126499
(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
CID 137348484
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(2R,3R,4R)-N-benzyl-3,4-dihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 10755113
2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
CID 166975626
(2R,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[3,2-b]pyridine-3,4-diol
CID 165180112

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol?
The IUPAC name of (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol (CID 16637680) is (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol is OC[C@@H]1OC(=N\Nc2ccccc2)/C(=N/Nc2ccccc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol?
The InChIKey is IJSHSQIAXMECND-ZBAATXEJSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-11-14-16(24)17(25)15(21-19-12-7-3-1-4-8-12)18(26-14)22-20-13-9-5-2-6-10-13/h1-10,14,16-17,19-20,23-25H,11H2/b21-15+,22-18-/t14-,16+,17-/m0/s1.
What are the key properties of (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol?
(2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol has a molecular weight of 356.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5E,6Z)-2-(hydroxymethyl)-5,6-bis(phenylhydrazinylidene)oxane-3,4-diol is sourced from PubChem (CID 16637680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).