2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol

C16H28O10 — CID 129199188

IUPAC2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
SMILESOCC1CC(O[C@@H]2CC(O)CC(CO)O2)C(OC2OCC(O)CC2O)O1
InChIInChI=1S/C16H28O10/c17-5-10-1-8(19)3-14(23-10)25-13-4-11(6-18)24-16(13)26-15-12(21)2-9(20)7-22-15/h8-21H,1-7H2/t8?,9?,10?,11?,12?,13?,14-,15?,16?/m1/s1
InChIKeyWOUGKEYTBINBDC-QNHYYLJNSA-N
MW380.39 g/mol
LogP-2.18
Rot. Bonds6

About 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol

2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol (PubChem CID 129199188) has the molecular formula C16H28O10 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol.

Molecular Properties

Compound Name2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
PubChem CID129199188
Molecular FormulaC16H28O10
Molecular Weight380.39 g/mol
Exact Mass380.17
IUPAC Name2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
SMILESOCC1CC(O[C@@H]2CC(O)CC(CO)O2)C(OC2OCC(O)CC2O)O1
InChIInChI=1S/C16H28O10/c17-5-10-1-8(19)3-14(23-10)25-13-4-11(6-18)24-16(13)26-15-12(21)2-9(20)7-22-15/h8-21H,1-7H2/t8?,9?,10?,11?,12?,13?,14-,15?,16?/m1/s1
InChIKeyWOUGKEYTBINBDC-QNHYYLJNSA-N
XLogP-2.18
TPSA147.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 5-2.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The IUPAC name of 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol (CID 129199188) is 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol.
What is the SMILES notation for 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The canonical SMILES for 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol is OCC1CC(O[C@@H]2CC(O)CC(CO)O2)C(OC2OCC(O)CC2O)O1.
What is the InChIKey of 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
The InChIKey is WOUGKEYTBINBDC-QNHYYLJNSA-N. The full InChI is InChI=1S/C16H28O10/c17-5-10-1-8(19)3-14(23-10)25-13-4-11(6-18)24-16(13)26-15-12(21)2-9(20)7-22-15/h8-21H,1-7H2/t8?,9?,10?,11?,12?,13?,14-,15?,16?/m1/s1.
What are the key properties of 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol?
2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol has a molecular weight of 380.39 g/mol, XLogP of -2.18, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol is sourced from PubChem (CID 129199188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).