(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol

C14H26O10 — CID 91847163

IUPAC(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC
InChIInChI=1S/C14H26O10/c1-19-10-7(24-13(18)12(21-3)11(10)20-2)5-23-14-9(17)8(16)6(15)4-22-14/h6-18H,4-5H2,1-3H3/t6-,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1
InChIKeyKKLOHUWXXPCYCJ-KFNWZVQOSA-N
MW354.35 g/mol
LogP-2.80
Rot. Bonds6

About (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol

(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 91847163) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID91847163
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCO[C@@H]1[C@@H](OC)[C@H](O)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC
InChIInChI=1S/C14H26O10/c1-19-10-7(24-13(18)12(21-3)11(10)20-2)5-23-14-9(17)8(16)6(15)4-22-14/h6-18H,4-5H2,1-3H3/t6-,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1
InChIKeyKKLOHUWXXPCYCJ-KFNWZVQOSA-N
XLogP-2.80
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol (CID 91847163) is (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol is CO[C@@H]1[C@@H](OC)[C@H](O)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OC.
What is the InChIKey of (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is KKLOHUWXXPCYCJ-KFNWZVQOSA-N. The full InChI is InChI=1S/C14H26O10/c1-19-10-7(24-13(18)12(21-3)11(10)20-2)5-23-14-9(17)8(16)6(15)4-22-14/h6-18H,4-5H2,1-3H3/t6-,7-,8+,9-,10+,11+,12-,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 354.35 g/mol, XLogP of -2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[[(2R,3S,4S,5R,6R)-6-hydroxy-3,4,5-trimethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 91847163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).