2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane

C16H30O9 — CID 91699165

IUPAC2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane
SMILESCOC1OCC(O[C@H]2OC[C@@H](OC)[C@H](OC)[C@@H]2OC)C(OC)C1OC
InChIInChI=1S/C16H30O9/c1-17-9-7-24-16(14(21-5)11(9)18-2)25-10-8-23-15(22-6)13(20-4)12(10)19-3/h9-16H,7-8H2,1-6H3/t9-,10?,11+,12?,13?,14+,15?,16-/m1/s1
InChIKeyDEILOTUZCRMGNS-HHCWBCPRSA-N
MW366.41 g/mol
LogP-0.19
Rot. Bonds8

About 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane

2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane (PubChem CID 91699165) has the molecular formula C16H30O9 and a molecular weight of 366.41 g/mol. Its IUPAC name is 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane.

Molecular Properties

Compound Name2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane
PubChem CID91699165
Molecular FormulaC16H30O9
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Name2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane
SMILESCOC1OCC(O[C@H]2OC[C@@H](OC)[C@H](OC)[C@@H]2OC)C(OC)C1OC
InChIInChI=1S/C16H30O9/c1-17-9-7-24-16(14(21-5)11(9)18-2)25-10-8-23-15(22-6)13(20-4)12(10)19-3/h9-16H,7-8H2,1-6H3/t9-,10?,11+,12?,13?,14+,15?,16-/m1/s1
InChIKeyDEILOTUZCRMGNS-HHCWBCPRSA-N
XLogP-0.19
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane?
The IUPAC name of 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane (CID 91699165) is 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane.
What is the SMILES notation for 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane?
The canonical SMILES for 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane is COC1OCC(O[C@H]2OC[C@@H](OC)[C@H](OC)[C@@H]2OC)C(OC)C1OC.
What is the InChIKey of 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane?
The InChIKey is DEILOTUZCRMGNS-HHCWBCPRSA-N. The full InChI is InChI=1S/C16H30O9/c1-17-9-7-24-16(14(21-5)11(9)18-2)25-10-8-23-15(22-6)13(20-4)12(10)19-3/h9-16H,7-8H2,1-6H3/t9-,10?,11+,12?,13?,14+,15?,16-/m1/s1.
What are the key properties of 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane?
2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane has a molecular weight of 366.41 g/mol, XLogP of -0.19, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-5-[(2R,3S,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxane is sourced from PubChem (CID 91699165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).