(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol

C7H13ClO4 — CID 131010758

IUPAC(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
SMILESCOC[C@@H]1O[C@@H](CCl)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13ClO4/c1-11-3-5-7(10)6(9)4(2-8)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyIALNOOOMVORMQS-VWDOSNQTSA-N
MW196.63 g/mol
LogP-0.64
Rot. Bonds3

About (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol

(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol (PubChem CID 131010758) has the molecular formula C7H13ClO4 and a molecular weight of 196.63 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
PubChem CID131010758
Molecular FormulaC7H13ClO4
Molecular Weight196.63 g/mol
Exact Mass196.05
IUPAC Name(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
SMILESCOC[C@@H]1O[C@@H](CCl)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H13ClO4/c1-11-3-5-7(10)6(9)4(2-8)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1
InChIKeyIALNOOOMVORMQS-VWDOSNQTSA-N
XLogP-0.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol (CID 131010758) is (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol is COC[C@@H]1O[C@@H](CCl)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol?
The InChIKey is IALNOOOMVORMQS-VWDOSNQTSA-N. The full InChI is InChI=1S/C7H13ClO4/c1-11-3-5-7(10)6(9)4(2-8)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5-,6+,7+/m0/s1.
What are the key properties of (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol?
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol has a molecular weight of 196.63 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 131010758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).