(3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C16H30O10 — CID 143276413

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

(3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 143276413) has the molecular formula C16H30O10 and a molecular weight of 382.41 g/mol. Its IUPAC name is (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• PubChem CID: 143276413
• Molecular Formula: C16H30O10
• Molecular Weight: 382.41 g/mol
• Exact Mass: 382.18
• IUPAC Name: (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• SMILES: CC(C)CC1OC(CO)C(OC2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O
• InChI: InChI=1S/C16H30O10/c1-6(2)3-7-10(19)13(22)15(9(5-18)24-7)26-16-14(23)12(21)11(20)8(4-17)25-16/h6-23H,3-5H2,1-2H3/t7?,8?,9?,10-,11+,12?,13?,14+,15?,16?/m0/s1
• InChIKey: BVWLNBDTASHKNN-RUCLOLLPSA-N
• XLogP: -3.30
• TPSA: 169.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.41
LogP ≤ 5	-3.30
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 143276413) is (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

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

The canonical SMILES for (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)CC1OC(CO)C(OC2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O.

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

The InChIKey is BVWLNBDTASHKNN-RUCLOLLPSA-N. The full InChI is InChI=1S/C16H30O10/c1-6(2)3-7-10(19)13(22)15(9(5-18)24-7)26-16-14(23)12(21)11(20)8(4-17)25-16/h6-23H,3-5H2,1-2H3/t7?,8?,9?,10-,11+,12?,13?,14+,15?,16?/m0/s1.

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

(3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 382.41 g/mol, XLogP of -3.30, 6 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 143276413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).