(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one

C14H16N2O6S — CID 102263881

IUPAC(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one
SMILESO=C1N(c2ccccc2)C(=S)N[C@@]12[C@H](O)[C@@H](CO)OC(O)[C@@H]2O
InChIInChI=1S/C14H16N2O6S/c17-6-8-9(18)14(10(19)11(20)22-8)12(21)16(13(23)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,23)/t8-,9-,10+,11?,14-/m1/s1
InChIKeyBAMOEFWGAOVLFZ-LSMUJKSNSA-N
MW340.36 g/mol
LogP-1.92
Rot. Bonds2

About (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one

(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one (PubChem CID 102263881) has the molecular formula C14H16N2O6S and a molecular weight of 340.36 g/mol. Its IUPAC name is (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one
PubChem CID102263881
Molecular FormulaC14H16N2O6S
Molecular Weight340.36 g/mol
Exact Mass340.07
IUPAC Name(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one
SMILESO=C1N(c2ccccc2)C(=S)N[C@@]12[C@H](O)[C@@H](CO)OC(O)[C@@H]2O
InChIInChI=1S/C14H16N2O6S/c17-6-8-9(18)14(10(19)11(20)22-8)12(21)16(13(23)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,23)/t8-,9-,10+,11?,14-/m1/s1
InChIKeyBAMOEFWGAOVLFZ-LSMUJKSNSA-N
XLogP-1.92
TPSA122.49 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one?
The IUPAC name of (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one (CID 102263881) is (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one.
What is the SMILES notation for (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one?
The canonical SMILES for (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one is O=C1N(c2ccccc2)C(=S)N[C@@]12[C@H](O)[C@@H](CO)OC(O)[C@@H]2O.
What is the InChIKey of (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one?
The InChIKey is BAMOEFWGAOVLFZ-LSMUJKSNSA-N. The full InChI is InChI=1S/C14H16N2O6S/c17-6-8-9(18)14(10(19)11(20)22-8)12(21)16(13(23)15-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,23)/t8-,9-,10+,11?,14-/m1/s1.
What are the key properties of (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one?
(5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one has a molecular weight of 340.36 g/mol, XLogP of -1.92, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R,9R,10S)-6,7,10-trihydroxy-9-(hydroxymethyl)-3-phenyl-2-sulfanylidene-8-oxa-1,3-diazaspiro[4.5]decan-4-one is sourced from PubChem (CID 102263881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).