(3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C15H28O11 — CID 71017103

About (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 71017103) has the molecular formula C15H28O11 and a molecular weight of 384.38 g/mol. Its IUPAC name is (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 71017103
• Molecular Formula: C15H28O11
• Molecular Weight: 384.38 g/mol
• Exact Mass: 384.16
• IUPAC Name: (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(C)OC[C@H]1O[C@@](CO)(OC2OC(CO)[C@@H](O)C(O)[C@@H]2O)C(O)C1O
• InChI: InChI=1S/C15H28O11/c1-6(2)23-4-8-10(19)13(22)15(5-17,25-8)26-14-12(21)11(20)9(18)7(3-16)24-14/h6-14,16-22H,3-5H2,1-2H3/t7?,8-,9-,10?,11?,12+,13?,14?,15+/m1/s1
• InChIKey: BMAKZNLPTNBICW-KOFQTLCPSA-N
• XLogP: -3.96
• TPSA: 178.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	384.38
LogP ≤ 5	-3.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The IUPAC name of (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 71017103) is (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The canonical SMILES for (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)OC[C@H]1O[C@@](CO)(OC2OC(CO)[C@@H](O)C(O)[C@@H]2O)C(O)C1O.

What is the InChIKey of (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

The InChIKey is BMAKZNLPTNBICW-KOFQTLCPSA-N. The full InChI is InChI=1S/C15H28O11/c1-6(2)23-4-8-10(19)13(22)15(5-17,25-8)26-14-12(21)11(20)9(18)7(3-16)24-14/h6-14,16-22H,3-5H2,1-2H3/t7?,8-,9-,10?,11?,12+,13?,14?,15+/m1/s1.

What are the key properties of (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?

(3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 384.38 g/mol, XLogP of -3.96, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-2-[(2S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(propan-2-yloxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 71017103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).