(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol

C24H23NO6S — CID 24831970

IUPAC(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol
SMILESOC[C@H]1O[C@]2(OCc3cc4ccn(Cc5cc6ccccc6s5)c4cc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H23NO6S/c26-11-19-21(27)22(28)23(29)24(31-19)17-9-18-13(7-15(17)12-30-24)5-6-25(18)10-16-8-14-3-1-2-4-20(14)32-16/h1-9,19,21-23,26-29H,10-12H2/t19-,21-,22+,23-,24+/m1/s1
InChIKeyJVLNVUZQJXUIKK-ZXGKGEBGSA-N
MW453.52 g/mol
LogP2.06
Rot. Bonds3

About (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol

(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol (PubChem CID 24831970) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol.

Molecular Properties

Compound Name(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol
PubChem CID24831970
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Name(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol
SMILESOC[C@H]1O[C@]2(OCc3cc4ccn(Cc5cc6ccccc6s5)c4cc32)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H23NO6S/c26-11-19-21(27)22(28)23(29)24(31-19)17-9-18-13(7-15(17)12-30-24)5-6-25(18)10-16-8-14-3-1-2-4-20(14)32-16/h1-9,19,21-23,26-29H,10-12H2/t19-,21-,22+,23-,24+/m1/s1
InChIKeyJVLNVUZQJXUIKK-ZXGKGEBGSA-N
XLogP2.06
TPSA104.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol 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 (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol?
The IUPAC name of (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol (CID 24831970) is (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol.
What is the SMILES notation for (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol?
The canonical SMILES for (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol is OC[C@H]1O[C@]2(OCc3cc4ccn(Cc5cc6ccccc6s5)c4cc32)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol?
The InChIKey is JVLNVUZQJXUIKK-ZXGKGEBGSA-N. The full InChI is InChI=1S/C24H23NO6S/c26-11-19-21(27)22(28)23(29)24(31-19)17-9-18-13(7-15(17)12-30-24)5-6-25(18)10-16-8-14-3-1-2-4-20(14)32-16/h1-9,19,21-23,26-29H,10-12H2/t19-,21-,22+,23-,24+/m1/s1.
What are the key properties of (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol?
(3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol has a molecular weight of 453.52 g/mol, XLogP of 2.06, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4'S,5'S,6'R,7S)-1-(1-benzothiophen-2-ylmethyl)-6'-(hydroxymethyl)spiro[5H-furo[3,4-f]indole-7,2'-oxane]-3',4',5'-triol is sourced from PubChem (CID 24831970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).