(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol

C11H20O6 — CID 102266625

IUPAC(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol
SMILESC=CC(C)C(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-4-5(2)6(12)10-8(14)7(13)9(15)11(16-3)17-10/h4-15H,1H2,2-3H3/t5?,6?,7-,8+,9+,10+,11-/m0/s1
InChIKeyKVKIHCBYNDIEAD-GAZBPECUSA-N
MW248.27 g/mol
LogP-1.38
Rot. Bonds4

About (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 102266625) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol
PubChem CID102266625
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol
SMILESC=CC(C)C(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-4-5(2)6(12)10-8(14)7(13)9(15)11(16-3)17-10/h4-15H,1H2,2-3H3/t5?,6?,7-,8+,9+,10+,11-/m0/s1
InChIKeyKVKIHCBYNDIEAD-GAZBPECUSA-N
XLogP-1.38
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol (CID 102266625) is (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol is C=CC(C)C(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is KVKIHCBYNDIEAD-GAZBPECUSA-N. The full InChI is InChI=1S/C11H20O6/c1-4-5(2)6(12)10-8(14)7(13)9(15)11(16-3)17-10/h4-15H,1H2,2-3H3/t5?,6?,7-,8+,9+,10+,11-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 248.27 g/mol, XLogP of -1.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(1-hydroxy-2-methylbut-3-enyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 102266625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).