(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C7H12O8Si — CID 71587606

IUPAC(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[Si](O)(O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H12O8Si/c1-16(12,13)14-2-3(8)6-4(9)5(10)7(11)15-6/h3,6,8-10,12-13H,2H2,1H3/t3-,6+/m0/s1
InChIKeyDWMGLUVISSMERV-BBIVZNJYSA-N
MW252.25 g/mol
LogP-1.83
Rot. Bonds4

About (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 71587606) has the molecular formula C7H12O8Si and a molecular weight of 252.25 g/mol. Its IUPAC name is (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID71587606
Molecular FormulaC7H12O8Si
Molecular Weight252.25 g/mol
Exact Mass252.03
IUPAC Name(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESC[Si](O)(O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C7H12O8Si/c1-16(12,13)14-2-3(8)6-4(9)5(10)7(11)15-6/h3,6,8-10,12-13H,2H2,1H3/t3-,6+/m0/s1
InChIKeyDWMGLUVISSMERV-BBIVZNJYSA-N
XLogP-1.83
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 71587606) is (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is C[Si](O)(O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is DWMGLUVISSMERV-BBIVZNJYSA-N. The full InChI is InChI=1S/C7H12O8Si/c1-16(12,13)14-2-3(8)6-4(9)5(10)7(11)15-6/h3,6,8-10,12-13H,2H2,1H3/t3-,6+/m0/s1.
What are the key properties of (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 252.25 g/mol, XLogP of -1.83, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 71587606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).