(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid

C6H11O10P — CID 174800617

IUPAC(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
SMILESO=C1O[C@H](C(O)CO)C(O)=C1O.O=P(O)(O)O
InChIInChI=1S/C6H8O6.H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4/h2,5,7-10H,1H2;(H3,1,2,3,4)/t2?,5-;/m1./s1
InChIKeyDBSABEYSGXPBTA-KOCDJGNTSA-N
MW274.12 g/mol
LogP-2.34
Rot. Bonds2

About (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid

(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid (PubChem CID 174800617) has the molecular formula C6H11O10P and a molecular weight of 274.12 g/mol. Its IUPAC name is (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid.

Molecular Properties

Compound Name(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
PubChem CID174800617
Molecular FormulaC6H11O10P
Molecular Weight274.12 g/mol
Exact Mass274.01
IUPAC Name(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid
SMILESO=C1O[C@H](C(O)CO)C(O)=C1O.O=P(O)(O)O
InChIInChI=1S/C6H8O6.H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4/h2,5,7-10H,1H2;(H3,1,2,3,4)/t2?,5-;/m1./s1
InChIKeyDBSABEYSGXPBTA-KOCDJGNTSA-N
XLogP-2.34
TPSA184.98 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.12
LogP ≤ 5-2.34
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid?
The IUPAC name of (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid (CID 174800617) is (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid.
What is the SMILES notation for (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid?
The canonical SMILES for (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid is O=C1O[C@H](C(O)CO)C(O)=C1O.O=P(O)(O)O.
What is the InChIKey of (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid?
The InChIKey is DBSABEYSGXPBTA-KOCDJGNTSA-N. The full InChI is InChI=1S/C6H8O6.H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-5(2,3)4/h2,5,7-10H,1H2;(H3,1,2,3,4)/t2?,5-;/m1./s1.
What are the key properties of (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid?
(2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid has a molecular weight of 274.12 g/mol, XLogP of -2.34, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;phosphoric acid is sourced from PubChem (CID 174800617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).