(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol

C13H24O10 — CID 90766018

IUPAC(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
SMILESCC(C)(O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O10/c1-13(2,22-11-9(18)7(16)5(14)3-20-11)23-12-10(19)8(17)6(15)4-21-12/h5-12,14-19H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12-/m0/s1
InChIKeyJQSNXQOXDSNAOK-NKUXFBMISA-N
MW340.33 g/mol
LogP-3.37
Rot. Bonds4

About (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol

(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol (PubChem CID 90766018) has the molecular formula C13H24O10 and a molecular weight of 340.33 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
PubChem CID90766018
Molecular FormulaC13H24O10
Molecular Weight340.33 g/mol
Exact Mass340.14
IUPAC Name(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
SMILESCC(C)(O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H24O10/c1-13(2,22-11-9(18)7(16)5(14)3-20-11)23-12-10(19)8(17)6(15)4-21-12/h5-12,14-19H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12-/m0/s1
InChIKeyJQSNXQOXDSNAOK-NKUXFBMISA-N
XLogP-3.37
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 5-3.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
CID 45093703
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
CID 163413881
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667
2-(1,2-dihydroxy-1-pyrrolidin-2-ylpropan-2-yl)oxyoxane-3,4,5-triol
CID 67373011
(2R,3R,4S,5S)-2-propoxyoxane-3,4,5-triol
CID 130756919
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol (CID 90766018) is (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol is CC(C)(O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol?
The InChIKey is JQSNXQOXDSNAOK-NKUXFBMISA-N. The full InChI is InChI=1S/C13H24O10/c1-13(2,22-11-9(18)7(16)5(14)3-20-11)23-12-10(19)8(17)6(15)4-21-12/h5-12,14-19H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12-/m0/s1.
What are the key properties of (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol?
(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol has a molecular weight of 340.33 g/mol, XLogP of -3.37, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol is sourced from PubChem (CID 90766018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).