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

C11H20O10 — CID 142629032

IUPAC(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)C1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O10/c12-1-4(15)6(16)8(18)10(20)11(3-14)9(19)7(17)5(2-13)21-11/h4-9,12-19H,1-3H2/t4-,5-,6-,7-,8-,9+,11?/m1/s1
InChIKeyGZNPJCSACMBATO-TYKOAFDFSA-N
MW312.27 g/mol
LogP-5.53
Rot. Bonds7

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

(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one (PubChem CID 142629032) has the molecular formula C11H20O10 and a molecular weight of 312.27 g/mol. Its IUPAC name is (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
PubChem CID142629032
Molecular FormulaC11H20O10
Molecular Weight312.27 g/mol
Exact Mass312.11
IUPAC Name(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
SMILESO=C([C@H](O)[C@H](O)[C@H](O)CO)C1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H20O10/c12-1-4(15)6(16)8(18)10(20)11(3-14)9(19)7(17)5(2-13)21-11/h4-9,12-19H,1-3H2/t4-,5-,6-,7-,8-,9+,11?/m1/s1
InChIKeyGZNPJCSACMBATO-TYKOAFDFSA-N
XLogP-5.53
TPSA188.14 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 5-5.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(3S,4R,5R)-1-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5,6-tetrahydroxyhexan-2-one
CID 67559198
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 70436487
[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] (E,4R,5S)-2,3,4,5,6-pentahydroxyhex-2-enoate
CID 54741820
(2R,3R,4R)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one
CID 69295078
4-amino-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2-hydroxy-5-(1H-imidazol-5-yl)-2-(1,2,3,4-tetrahydroxybutyl)pentane-1,3-dione
CID 175411070
(2R,3S,4S)-5-[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypentane-1,2,3,4-tetrol
CID 91861844
bis((2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 70470362
(2R,3R,4S,5S,6R)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 141160396
1-[2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydroxypropan-1-one
CID 141072864
(3S,4R,5R)-6-[(2R,3S,4S,5R)-5-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-2-(hydroxymethyl)oxolan-2-yl]oxy-1,3,4,5-tetrahydroxyhexan-2-one
CID 101014471
(1R,3S,4R)-1,4-bis(hydroxymethyl)cyclopentane-1,2,3-triol;1,3,4,5,6-pentahydroxyhexan-2-one
CID 158370527
2,3,4,5-tetrahydroxypentanoic acid
CID 10264

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The IUPAC name of (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one (CID 142629032) is (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one.
What is the SMILES notation for (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The canonical SMILES for (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one is O=C([C@H](O)[C@H](O)[C@H](O)CO)C1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
The InChIKey is GZNPJCSACMBATO-TYKOAFDFSA-N. The full InChI is InChI=1S/C11H20O10/c12-1-4(15)6(16)8(18)10(20)11(3-14)9(19)7(17)5(2-13)21-11/h4-9,12-19H,1-3H2/t4-,5-,6-,7-,8-,9+,11?/m1/s1.
What are the key properties of (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one?
(2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one has a molecular weight of 312.27 g/mol, XLogP of -5.53, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2,3,4,5-tetrahydroxypentan-1-one is sourced from PubChem (CID 142629032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).