(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one

C23H30N2O6Si — CID 23815559

IUPAC(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1cccn(-c2ccc3c(c2)[C@@]2(O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]2C)C(=O)N3C)c1=O
InChIInChI=1S/C23H30N2O6Si/c1-14-20(32(4,5)29)18(10-12-26)31-23(14)16-13-15(8-9-17(16)24(2)22(23)28)25-11-6-7-19(30-3)21(25)27/h6-9,11,13-14,18,20,26,29H,10,12H2,1-5H3/t14-,18+,20-,23+/m0/s1
InChIKeyQVCHVGJRZGFTNL-OMABIOOLSA-N
MW458.59 g/mol
LogP2.00
Rot. Bonds5

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one (PubChem CID 23815559) has the molecular formula C23H30N2O6Si and a molecular weight of 458.59 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one.

Molecular Properties

Compound Name(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one
PubChem CID23815559
Molecular FormulaC23H30N2O6Si
Molecular Weight458.59 g/mol
Exact Mass458.19
IUPAC Name(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one
SMILESCOc1cccn(-c2ccc3c(c2)[C@@]2(O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]2C)C(=O)N3C)c1=O
InChIInChI=1S/C23H30N2O6Si/c1-14-20(32(4,5)29)18(10-12-26)31-23(14)16-13-15(8-9-17(16)24(2)22(23)28)25-11-6-7-19(30-3)21(25)27/h6-9,11,13-14,18,20,26,29H,10,12H2,1-5H3/t14-,18+,20-,23+/m0/s1
InChIKeyQVCHVGJRZGFTNL-OMABIOOLSA-N
XLogP2.00
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.59
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?
The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one (CID 23815559) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one.
What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?
The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one is COc1cccn(-c2ccc3c(c2)[C@@]2(O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]2C)C(=O)N3C)c1=O.
What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?
The InChIKey is QVCHVGJRZGFTNL-OMABIOOLSA-N. The full InChI is InChI=1S/C23H30N2O6Si/c1-14-20(32(4,5)29)18(10-12-26)31-23(14)16-13-15(8-9-17(16)24(2)22(23)28)25-11-6-7-19(30-3)21(25)27/h6-9,11,13-14,18,20,26,29H,10,12H2,1-5H3/t14-,18+,20-,23+/m0/s1.
What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one?
(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one has a molecular weight of 458.59 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-5-(3-methoxy-2-oxo-1-pyridinyl)-1,3'-dimethylspiro[indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23815559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).