[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite

C7H12Cl2O6 — CID 172807534

IUPAC[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite
SMILESCOC1O[C@H](COCl)[C@H](OCl)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12Cl2O6/c1-12-7-5(11)4(10)6(15-9)3(14-7)2-13-8/h3-7,10-11H,2H2,1H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyRSHDAOBNIYXMTI-QTSLKERKSA-N
MW263.07 g/mol
LogP-0.21
Rot. Bonds4

About [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite

[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite (PubChem CID 172807534) has the molecular formula C7H12Cl2O6 and a molecular weight of 263.07 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite
PubChem CID172807534
Molecular FormulaC7H12Cl2O6
Molecular Weight263.07 g/mol
Exact Mass262.00
IUPAC Name[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite
SMILESCOC1O[C@H](COCl)[C@H](OCl)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12Cl2O6/c1-12-7-5(11)4(10)6(15-9)3(14-7)2-13-8/h3-7,10-11H,2H2,1H3/t3-,4-,5-,6+,7?/m1/s1
InChIKeyRSHDAOBNIYXMTI-QTSLKERKSA-N
XLogP-0.21
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.07
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite with MolForge

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Related Compounds

(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
6-(bromomethyl)-2,5-dimethoxyoxane-3,4-diol
CID 123587223
(2S,3R,4S,5R,6S)-2-(chloromethyl)-6-methoxyoxane-3,4,5-triol
CID 118225421
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
5-methoxyoxolane-2,3,4-triol
CID 122494930
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite?
The IUPAC name of [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite (CID 172807534) is [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite.
What is the SMILES notation for [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite?
The canonical SMILES for [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite is COC1O[C@H](COCl)[C@H](OCl)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite?
The InChIKey is RSHDAOBNIYXMTI-QTSLKERKSA-N. The full InChI is InChI=1S/C7H12Cl2O6/c1-12-7-5(11)4(10)6(15-9)3(14-7)2-13-8/h3-7,10-11H,2H2,1H3/t3-,4-,5-,6+,7?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite?
[(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite has a molecular weight of 263.07 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3-chlorooxy-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl hypochlorite is sourced from PubChem (CID 172807534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).