(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol

C7H13ClO4 — CID 130765052

IUPAC(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](Cl)[C@H]1O
InChIInChI=1S/C7H13ClO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,1-2H3/t3-,4-,5-,6-,7-/m1/s1
InChIKeyWOKLFXNLYXNSAX-NYMZXIIRSA-N
MW196.63 g/mol
LogP-0.29
Rot. Bonds1

About (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol

(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol (PubChem CID 130765052) has the molecular formula C7H13ClO4 and a molecular weight of 196.63 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
PubChem CID130765052
Molecular FormulaC7H13ClO4
Molecular Weight196.63 g/mol
Exact Mass196.05
IUPAC Name(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol
SMILESCO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](Cl)[C@H]1O
InChIInChI=1S/C7H13ClO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,1-2H3/t3-,4-,5-,6-,7-/m1/s1
InChIKeyWOKLFXNLYXNSAX-NYMZXIIRSA-N
XLogP-0.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-0.29
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

(2R,3R,5S)-2-methoxy-6-methyloxane-3,4,5-triol
CID 155602482
(2S,3R,4R,5S,6R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 12904923
(2R,5R)-2-methoxy-6-methyloxane-3,4,5-triol
CID 59892948
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
CID 57272442
(2S,3R,4R,5S,6S)-6-methoxy-2,5-dimethyloxane-3,4-diol
CID 130891159
2-methoxy-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 14212572
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
(2S,3R,4R,5S)-2,5-dimethoxyoxolane-3,4-diol
CID 99945935
(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
CID 14824471
(3S,4S,5S,6R)-2-methoxy-3,5,6-trimethyloxan-4-ol
CID 21122764
(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 139084048
2-[(3S,4S,6R)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]guanidine
CID 122634490

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol (CID 130765052) is (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol is CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](Cl)[C@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol?
The InChIKey is WOKLFXNLYXNSAX-NYMZXIIRSA-N. The full InChI is InChI=1S/C7H13ClO4/c1-3-5(9)4(8)6(10)7(11-2)12-3/h3-7,9-10H,1-2H3/t3-,4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol?
(2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol has a molecular weight of 196.63 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-4-chloro-2-methoxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 130765052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).