(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one

C9H18O6Si — CID 154048665

IUPAC(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one
SMILESC[Si](C)(C)[C@]1(O)C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6Si/c1-16(2,3)9(14)7(12)6(11)5(4-10)15-8(9)13/h5-7,10-12,14H,4H2,1-3H3/t5-,6-,7+,9+/m1/s1
InChIKeyNFNSMIYTCYWIAY-JAKMQLQISA-N
MW250.32 g/mol
LogP-1.77
Rot. Bonds2

About (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one

(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one (PubChem CID 154048665) has the molecular formula C9H18O6Si and a molecular weight of 250.32 g/mol. Its IUPAC name is (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one.

Molecular Properties

Compound Name(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one
PubChem CID154048665
Molecular FormulaC9H18O6Si
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Name(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one
SMILESC[Si](C)(C)[C@]1(O)C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6Si/c1-16(2,3)9(14)7(12)6(11)5(4-10)15-8(9)13/h5-7,10-12,14H,4H2,1-3H3/t5-,6-,7+,9+/m1/s1
InChIKeyNFNSMIYTCYWIAY-JAKMQLQISA-N
XLogP-1.77
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

delta-Gluconolactone
CID 7027
Aldono-1,5-lactone
CID 736
D-glucaro-1,5-lactone
CID 46926211
D-galactono-1,5-lactone
CID 439781
L-Glucono-1,5-lactone
CID 1549082
D-galactaro-1,5-lactone
CID 53321658
L-fucono-1,5-lactone
CID 445948
L-galactono-1,5-lactone
CID 22887200
Mannono-1,5-lactone
CID 151504
1,6-Diethyl hexarate
CID 228094
Rhamnono-1,5-lactone
CID 10866640
1-Deoxy-beta-d-mannuronic acid
CID 24798728

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one?
The IUPAC name of (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one (CID 154048665) is (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one.
What is the SMILES notation for (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one?
The canonical SMILES for (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one is C[Si](C)(C)[C@]1(O)C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one?
The InChIKey is NFNSMIYTCYWIAY-JAKMQLQISA-N. The full InChI is InChI=1S/C9H18O6Si/c1-16(2,3)9(14)7(12)6(11)5(4-10)15-8(9)13/h5-7,10-12,14H,4H2,1-3H3/t5-,6-,7+,9+/m1/s1.
What are the key properties of (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one?
(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one has a molecular weight of 250.32 g/mol, XLogP of -1.77, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3-trimethylsilyloxan-2-one is sourced from PubChem (CID 154048665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).