(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol

C7H14O4Se — CID 44543630

IUPAC(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol
SMILESC[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeyVHTNTJQSKJZERS-XUVCUMPTSA-N
MW241.15 g/mol
LogP-1.43
Rot. Bonds1

About (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol

(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol (PubChem CID 44543630) has the molecular formula C7H14O4Se and a molecular weight of 241.15 g/mol. Its IUPAC name is (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol
PubChem CID44543630
Molecular FormulaC7H14O4Se
Molecular Weight241.15 g/mol
Exact Mass242.01
IUPAC Name(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol
SMILESC[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
InChIKeyVHTNTJQSKJZERS-XUVCUMPTSA-N
XLogP-1.43
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol (CID 44543630) is (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol is C[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol?
The InChIKey is VHTNTJQSKJZERS-XUVCUMPTSA-N. The full InChI is InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1.
What are the key properties of (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol?
(2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol has a molecular weight of 241.15 g/mol, XLogP of -1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S,6S)-2-methyl-6-methylselanyloxane-3,4,5-triol is sourced from PubChem (CID 44543630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).