(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one

C10H18O9 — CID 11680751

IUPAC(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C(C1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O9/c11-1-3(13)5(14)7(16)9(18)10-8(17)6(15)4(2-12)19-10/h3-8,10-17H,1-2H2/t3-,4-,5-,6-,7-,8-,10?/m1/s1
InChIKeySXXHVURFCLLLNG-UYFMFYFCSA-N
MW282.25 g/mol
LogP-4.89
Rot. Bonds6

About (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one

(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one (PubChem CID 11680751) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
PubChem CID11680751
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C(C1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O9/c11-1-3(13)5(14)7(16)9(18)10-8(17)6(15)4(2-12)19-10/h3-8,10-17H,1-2H2/t3-,4-,5-,6-,7-,8-,10?/m1/s1
InChIKeySXXHVURFCLLLNG-UYFMFYFCSA-N
XLogP-4.89
TPSA167.91 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-4.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The IUPAC name of (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one (CID 11680751) is (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one.
What is the SMILES notation for (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The canonical SMILES for (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one is O=C(C1O[C@H](CO)[C@@H](O)[C@H]1O)[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The InChIKey is SXXHVURFCLLLNG-UYFMFYFCSA-N. The full InChI is InChI=1S/C10H18O9/c11-1-3(13)5(14)7(16)9(18)10-8(17)6(15)4(2-12)19-10/h3-8,10-17H,1-2H2/t3-,4-,5-,6-,7-,8-,10?/m1/s1.
What are the key properties of (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
(2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one has a molecular weight of 282.25 g/mol, XLogP of -4.89, 6 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one is sourced from PubChem (CID 11680751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).