(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol

C6H11ClO4 — CID 68562521

IUPAC(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](C(O)Cl)C[C@H]1O
InChIInChI=1S/C6H11ClO4/c1-10-6-3(8)2-4(11-6)5(7)9/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6+/m1/s1
InChIKeyHYLRTSJHHLQGHR-JTSAIASGSA-N
MW182.60 g/mol
LogP-0.33
Rot. Bonds2

About (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol

(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol (PubChem CID 68562521) has the molecular formula C6H11ClO4 and a molecular weight of 182.60 g/mol. Its IUPAC name is (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol
PubChem CID68562521
Molecular FormulaC6H11ClO4
Molecular Weight182.60 g/mol
Exact Mass182.03
IUPAC Name(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol
SMILESCO[C@H]1O[C@H](C(O)Cl)C[C@H]1O
InChIInChI=1S/C6H11ClO4/c1-10-6-3(8)2-4(11-6)5(7)9/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6+/m1/s1
InChIKeyHYLRTSJHHLQGHR-JTSAIASGSA-N
XLogP-0.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2S,5S)-2-methoxy-6-methyloxane-3,5-diol
CID 130896267
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
(2S,3R,5S)-2-methoxy-5-[(1R)-2-nitro-1-phenylmethoxyethyl]oxolan-3-ol
CID 102365722
(3R,5S)-5-[(1S)-1-azido-2-(4-bromophenoxy)ethyl]-2-methoxyoxolan-3-ol
CID 45104505
(2S,3S,4R,6R)-2,3-dimethoxy-6-methyloxan-4-ol
CID 10866852
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
CID 175800512
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
(1S)-1-[(2S,4R,5R)-4-hydroxy-5-(pentylamino)oxyoxolan-2-yl]ethane-1,2-diol
CID 88654072
6-methylperoxyoxane-2,3,5-triol
CID 89127286
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol?
The IUPAC name of (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol (CID 68562521) is (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol is CO[C@H]1O[C@H](C(O)Cl)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol?
The InChIKey is HYLRTSJHHLQGHR-JTSAIASGSA-N. The full InChI is InChI=1S/C6H11ClO4/c1-10-6-3(8)2-4(11-6)5(7)9/h3-6,8-9H,2H2,1H3/t3-,4+,5?,6+/m1/s1.
What are the key properties of (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol?
(2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol has a molecular weight of 182.60 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-[chloro(hydroxy)methyl]-2-methoxyoxolan-3-ol is sourced from PubChem (CID 68562521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).