(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol

C9H16O6 — CID 174954911

IUPAC(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol
SMILESCC(C)=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-3(2)4(10)8-6(12)5(11)7(13)9(14)15-8/h5-14H,1-2H3/t5-,6+,7+,8+,9+/m0/s1
InChIKeySEZCUQKNSZUSQN-XDQCBXAXSA-N
MW220.22 g/mol
LogP-1.36
Rot. Bonds1

About (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol

(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol (PubChem CID 174954911) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol
PubChem CID174954911
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol
SMILESCC(C)=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-3(2)4(10)8-6(12)5(11)7(13)9(14)15-8/h5-14H,1-2H3/t5-,6+,7+,8+,9+/m0/s1
InChIKeySEZCUQKNSZUSQN-XDQCBXAXSA-N
XLogP-1.36
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

1-[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 91170856
(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol
CID 67674540
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
CID 68865707
acetyl (2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 140603541
methyl (2R,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 124708413
(2S,3R,4R,5S,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 7140379
(2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 46173511
(3S,4S)-oxolane-2,3,4,5-tetrol
CID 89085944
sodium (2S,3R,4R,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 23664051

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol (CID 174954911) is (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol is CC(C)=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol?
The InChIKey is SEZCUQKNSZUSQN-XDQCBXAXSA-N. The full InChI is InChI=1S/C9H16O6/c1-3(2)4(10)8-6(12)5(11)7(13)9(14)15-8/h5-14H,1-2H3/t5-,6+,7+,8+,9+/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol?
(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol has a molecular weight of 220.22 g/mol, XLogP of -1.36, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 174954911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).