(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

C6H11ClO6 — CID 91313523

IUPAC(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@](O)(Cl)[C@@H]1O
InChIInChI=1S/C6H11ClO6/c7-6(12)3(9)2(1-8)13-5(11)4(6)10/h2-5,8-12H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyAJDWOWBSUXIMDL-PQMKYFCFSA-N
MW214.60 g/mol
LogP-2.65
Rot. Bonds1

About (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 91313523) has the molecular formula C6H11ClO6 and a molecular weight of 214.60 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
PubChem CID91313523
Molecular FormulaC6H11ClO6
Molecular Weight214.60 g/mol
Exact Mass214.02
IUPAC Name(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@](O)(Cl)[C@@H]1O
InChIInChI=1S/C6H11ClO6/c7-6(12)3(9)2(1-8)13-5(11)4(6)10/h2-5,8-12H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyAJDWOWBSUXIMDL-PQMKYFCFSA-N
XLogP-2.65
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 5-2.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,4,5-pentol
CID 134812037
(3S,4R,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,4,5-tetrol
CID 175505706
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-phenyloxane-2,3,4,5-tetrol
CID 125489858
(3S,4R,5R,6R)-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-2,3,4,5-tetrol
CID 69474351
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(3R,4S,5S,6R)-4-benzyl-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 163366047
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
CID 129307305

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol (CID 91313523) is (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is OC[C@H]1O[C@H](O)[C@H](O)[C@](O)(Cl)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is AJDWOWBSUXIMDL-PQMKYFCFSA-N. The full InChI is InChI=1S/C6H11ClO6/c7-6(12)3(9)2(1-8)13-5(11)4(6)10/h2-5,8-12H,1H2/t2-,3-,4+,5+,6+/m1/s1.
What are the key properties of (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 214.60 g/mol, XLogP of -2.65, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R)-4-chloro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91313523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).