(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol

C13H16O4 — CID 139734184

IUPAC(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](O)COC(C=Cc2ccccc2)[C@@H]1O
InChIInChI=1S/C13H16O4/c14-10-8-17-11(13(16)12(10)15)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11?,12+,13+/m1/s1
InChIKeyAJUDVOGGZVUARC-DMPSADRZSA-N
MW236.27 g/mol
LogP0.18
Rot. Bonds2

About (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol

(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol (PubChem CID 139734184) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
PubChem CID139734184
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
SMILESO[C@H]1[C@H](O)COC(C=Cc2ccccc2)[C@@H]1O
InChIInChI=1S/C13H16O4/c14-10-8-17-11(13(16)12(10)15)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11?,12+,13+/m1/s1
InChIKeyAJUDVOGGZVUARC-DMPSADRZSA-N
XLogP0.18
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-2-[(E)-2-(4-methoxyphenyl)ethenyl]oxolane-3,4-diol
CID 102309158
(3R,4S,5R)-2-(2-methylidene-4-phenylbut-3-enyl)oxane-3,4,5-triol
CID 162284243
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(3S,3aS)-3-[(E)-2-phenylethenyl]-1,3,3a,4,5,6-hexahydro-2-benzofuran
CID 164668676
(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
(2S,3S,4R,5R)-3,4,5-trihydroxyoxane-2-carbaldehyde
CID 165359373
3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
CID 137333511
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol?
The IUPAC name of (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol (CID 139734184) is (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol is O[C@H]1[C@H](O)COC(C=Cc2ccccc2)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol?
The InChIKey is AJUDVOGGZVUARC-DMPSADRZSA-N. The full InChI is InChI=1S/C13H16O4/c14-10-8-17-11(13(16)12(10)15)7-6-9-4-2-1-3-5-9/h1-7,10-16H,8H2/t10-,11?,12+,13+/m1/s1.
What are the key properties of (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol?
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol has a molecular weight of 236.27 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol is sourced from PubChem (CID 139734184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).