(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol

C10H18O9 — CID 156619040

IUPAC(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O9/c11-3-1-17-9(7(15)5(3)13)19-10-8(16)6(14)4(12)2-18-10/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10-/m1/s1
InChIKeyNDVDOFDGZVOHHB-WLDAPZOUSA-N
MW282.25 g/mol
LogP-4.12
Rot. Bonds2

About (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 156619040) has the molecular formula C10H18O9 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
PubChem CID156619040
Molecular FormulaC10H18O9
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O9/c11-3-1-17-9(7(15)5(3)13)19-10-8(16)6(14)4(12)2-18-10/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10-/m1/s1
InChIKeyNDVDOFDGZVOHHB-WLDAPZOUSA-N
XLogP-4.12
TPSA149.07 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.25
LogP ≤ 5-4.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol (CID 156619040) is (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol is O[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is NDVDOFDGZVOHHB-WLDAPZOUSA-N. The full InChI is InChI=1S/C10H18O9/c11-3-1-17-9(7(15)5(3)13)19-10-8(16)6(14)4(12)2-18-10/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8+,9+,10-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 282.25 g/mol, XLogP of -4.12, 2 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 156619040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).