(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

C23H28N2O6 — CID 100962567

IUPAC(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCOC[C@@H](OC)[C@H]1O[C@H]2[C@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@H]1OC
InChIInChI=1S/C23H28N2O6/c1-27-14-17(28-2)19-21(29-3)22-20(30-19)18(23(26)31-22)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-22,24H,14H2,1-3H3/t17-,18+,19-,20-,21+,22+/m1/s1
InChIKeyGNEDDSWMINOHAR-HJEMKOJISA-N
MW428.49 g/mol
LogP2.07
Rot. Bonds9

About (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one

(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (PubChem CID 100962567) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.

Molecular Properties

Compound Name(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
PubChem CID100962567
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
SMILESCOC[C@@H](OC)[C@H]1O[C@H]2[C@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@H]1OC
InChIInChI=1S/C23H28N2O6/c1-27-14-17(28-2)19-21(29-3)22-20(30-19)18(23(26)31-22)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-22,24H,14H2,1-3H3/t17-,18+,19-,20-,21+,22+/m1/s1
InChIKeyGNEDDSWMINOHAR-HJEMKOJISA-N
XLogP2.07
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The IUPAC name of (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one (CID 100962567) is (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one.
What is the SMILES notation for (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The canonical SMILES for (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is COC[C@@H](OC)[C@H]1O[C@H]2[C@H](OC(=O)[C@H]2NN(c2ccccc2)c2ccccc2)[C@H]1OC.
What is the InChIKey of (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
The InChIKey is GNEDDSWMINOHAR-HJEMKOJISA-N. The full InChI is InChI=1S/C23H28N2O6/c1-27-14-17(28-2)19-21(29-3)22-20(30-19)18(23(26)31-22)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-22,24H,14H2,1-3H3/t17-,18+,19-,20-,21+,22+/m1/s1.
What are the key properties of (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one?
(2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one has a molecular weight of 428.49 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,3aS,6S,6aR)-2-[(1R)-1,2-dimethoxyethyl]-6-(2,2-diphenylhydrazinyl)-3-methoxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one is sourced from PubChem (CID 100962567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).