2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C16H30O10 — CID 85225480

IUPAC2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(O)CO)O1
InChIInChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3
InChIKeyRYNMENUEBZLOQZ-UHFFFAOYSA-N
MW382.41 g/mol
LogP-3.16
Rot. Bonds7

About 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 85225480) has the molecular formula C16H30O10 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID85225480
Molecular FormulaC16H30O10
Molecular Weight382.41 g/mol
Exact Mass382.18
IUPAC Name2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(O)CO)O1
InChIInChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3
InChIKeyRYNMENUEBZLOQZ-UHFFFAOYSA-N
XLogP-3.16
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.41
LogP ≤ 5-3.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 85225480) is 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(C(O)CO)O1.
What is the InChIKey of 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is RYNMENUEBZLOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3.
What are the key properties of 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 382.41 g/mol, XLogP of -3.16, 7 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 85225480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).