(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol

C10H20O5 — CID 70508112

IUPAC(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
SMILESCCC(CC)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-3-6(4-2)15-10-9(13)8(12)7(11)5-14-10/h6-13H,3-5H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyBPJOAQGSEBLIHG-UTINFBMNSA-N
MW220.26 g/mol
LogP-0.37
Rot. Bonds4

About (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol

(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol (PubChem CID 70508112) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
PubChem CID70508112
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
SMILESCCC(CC)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-3-6(4-2)15-10-9(13)8(12)7(11)5-14-10/h6-13H,3-5H2,1-2H3/t7-,8+,9-,10-/m1/s1
InChIKeyBPJOAQGSEBLIHG-UTINFBMNSA-N
XLogP-0.37
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol (CID 70508112) is (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol is CCC(CC)O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol?
The InChIKey is BPJOAQGSEBLIHG-UTINFBMNSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-6(4-2)15-10-9(13)8(12)7(11)5-14-10/h6-13H,3-5H2,1-2H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol?
(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol has a molecular weight of 220.26 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 70508112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).