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

C8H14O6 — CID 67674540

IUPAC(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol
SMILESCC=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-2-3(9)7-5(11)4(10)6(12)8(13)14-7/h2,4-13H,1H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyIWGSAFVUIPJTDE-OZRXBMAMSA-N
MW206.19 g/mol
LogP-1.75
Rot. Bonds1

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

(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol (PubChem CID 67674540) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol
PubChem CID67674540
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol
SMILESCC=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-2-3(9)7-5(11)4(10)6(12)8(13)14-7/h2,4-13H,1H3/t4-,5+,6-,7-,8-/m1/s1
InChIKeyIWGSAFVUIPJTDE-OZRXBMAMSA-N
XLogP-1.75
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.75
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,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(3R,4S,5S)-5-(3-deuterio-1-hydroxybut-1-enyl)oxolane-2,3,4-triol
CID 140973492
(2R,3R,4S,5R,6S)-6-(1-hydroxy-2-methylprop-1-enyl)oxane-2,3,4,5-tetrol
CID 174954911
1-[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethanone
CID 91170856
(2R,3R,4S,5S)-5-(1-hydroxyethenyl)oxolane-2,3,4-triol
CID 68865707
(2S,4S,5R,6S)-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 58895644
(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162642258
(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[(2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carbonyl]oxyoxane-2-carboxylic acid
CID 91193706
(2S,3R,4S,5R,6R)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 91851238
(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-6-[(2S,3R,4R,5R,6S)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 5459352

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol (CID 67674540) is (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol is CC=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol?
The InChIKey is IWGSAFVUIPJTDE-OZRXBMAMSA-N. The full InChI is InChI=1S/C8H14O6/c1-2-3(9)7-5(11)4(10)6(12)8(13)14-7/h2,4-13H,1H3/t4-,5+,6-,7-,8-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol?
(2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol has a molecular weight of 206.19 g/mol, XLogP of -1.75, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-6-(1-hydroxyprop-1-enyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 67674540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).