(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol

C19H36O10 — CID 10670013

IUPAC(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H36O10/c1-2-3-4-5-6-7-8-26-18-17(25)15(23)14(22)12(29-18)10-27-19-16(24)13(21)11(9-20)28-19/h11-25H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17-,18-,19+/m1/s1
InChIKeyRGLQVZCXYZMBII-PGGCYVCVSA-N
MW424.49 g/mol
LogP-1.37
Rot. Bonds12

About (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol (PubChem CID 10670013) has the molecular formula C19H36O10 and a molecular weight of 424.49 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
PubChem CID10670013
Molecular FormulaC19H36O10
Molecular Weight424.49 g/mol
Exact Mass424.23
IUPAC Name(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
SMILESCCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H36O10/c1-2-3-4-5-6-7-8-26-18-17(25)15(23)14(22)12(29-18)10-27-19-16(24)13(21)11(9-20)28-19/h11-25H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17-,18-,19+/m1/s1
InChIKeyRGLQVZCXYZMBII-PGGCYVCVSA-N
XLogP-1.37
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 5-1.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol (CID 10670013) is (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol is CCCCCCCCO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
The InChIKey is RGLQVZCXYZMBII-PGGCYVCVSA-N. The full InChI is InChI=1S/C19H36O10/c1-2-3-4-5-6-7-8-26-18-17(25)15(23)14(22)12(29-18)10-27-19-16(24)13(21)11(9-20)28-19/h11-25H,2-10H2,1H3/t11-,12-,13-,14-,15+,16+,17-,18-,19+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol has a molecular weight of 424.49 g/mol, XLogP of -1.37, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol is sourced from PubChem (CID 10670013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).