(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol

C13H26O8 — CID 132521015

IUPAC(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol
SMILESCO[C@]1(CO)O[C@@H]([C@H](O)[C@H](O)C[C@@H](C)CO)C[C@@H](O)[C@H]1O
InChIInChI=1S/C13H26O8/c1-7(5-14)3-8(16)11(18)10-4-9(17)12(19)13(6-15,20-2)21-10/h7-12,14-19H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13-/m1/s1
InChIKeyDZXVWGIHYSVQCD-VALWXPLLSA-N
MW310.34 g/mol
LogP-2.43
Rot. Bonds7

About (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol

(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol (PubChem CID 132521015) has the molecular formula C13H26O8 and a molecular weight of 310.34 g/mol. Its IUPAC name is (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol.

Molecular Properties

Compound Name(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol
PubChem CID132521015
Molecular FormulaC13H26O8
Molecular Weight310.34 g/mol
Exact Mass310.16
IUPAC Name(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol
SMILESCO[C@]1(CO)O[C@@H]([C@H](O)[C@H](O)C[C@@H](C)CO)C[C@@H](O)[C@H]1O
InChIInChI=1S/C13H26O8/c1-7(5-14)3-8(16)11(18)10-4-9(17)12(19)13(6-15,20-2)21-10/h7-12,14-19H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13-/m1/s1
InChIKeyDZXVWGIHYSVQCD-VALWXPLLSA-N
XLogP-2.43
TPSA139.84 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.34
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol?
The IUPAC name of (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol (CID 132521015) is (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol.
What is the SMILES notation for (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol?
The canonical SMILES for (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol is CO[C@]1(CO)O[C@@H]([C@H](O)[C@H](O)C[C@@H](C)CO)C[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol?
The InChIKey is DZXVWGIHYSVQCD-VALWXPLLSA-N. The full InChI is InChI=1S/C13H26O8/c1-7(5-14)3-8(16)11(18)10-4-9(17)12(19)13(6-15,20-2)21-10/h7-12,14-19H,3-6H2,1-2H3/t7-,8-,9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol?
(1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol has a molecular weight of 310.34 g/mol, XLogP of -2.43, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-6-methoxyoxan-2-yl]-4-methylpentane-1,2,5-triol is sourced from PubChem (CID 132521015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).