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

C8H14O5 — CID 163802466

IUPAC(2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol
SMILESCC(O)/C=C1/OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h2,4-5,7-12H,3H2,1H3/b6-2+/t4?,5-,7+,8+/m1/s1
InChIKeyNGEKNQBEYPZLSM-GFJRLPTKSA-N
MW190.19 g/mol
LogP-1.64
Rot. Bonds1

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

(2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol (PubChem CID 163802466) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol
PubChem CID163802466
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol
SMILESCC(O)/C=C1/OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h2,4-5,7-12H,3H2,1H3/b6-2+/t4?,5-,7+,8+/m1/s1
InChIKeyNGEKNQBEYPZLSM-GFJRLPTKSA-N
XLogP-1.64
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol?
The IUPAC name of (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol (CID 163802466) is (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol.
What is the SMILES notation for (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol?
The canonical SMILES for (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol is CC(O)/C=C1/OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol?
The InChIKey is NGEKNQBEYPZLSM-GFJRLPTKSA-N. The full InChI is InChI=1S/C8H14O5/c1-4(9)2-6-8(12)7(11)5(10)3-13-6/h2,4-5,7-12H,3H2,1H3/b6-2+/t4?,5-,7+,8+/m1/s1.
What are the key properties of (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol?
(2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol has a molecular weight of 190.19 g/mol, XLogP of -1.64, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3R,4S,5R)-2-(2-hydroxypropylidene)oxane-3,4,5-triol is sourced from PubChem (CID 163802466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).