(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol

C11H22O6 — CID 102443008

IUPAC(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
SMILESCCCCCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22O6/c1-2-3-4-5-16-11(7-13)10(15)9(14)8(6-12)17-11/h8-10,12-15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeySNGWVXBFQQWMDJ-CHWFTXMASA-N
MW250.29 g/mol
LogP-1.01
Rot. Bonds7

About (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol (PubChem CID 102443008) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
PubChem CID102443008
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol
SMILESCCCCCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H22O6/c1-2-3-4-5-16-11(7-13)10(15)9(14)8(6-12)17-11/h8-10,12-15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKeySNGWVXBFQQWMDJ-CHWFTXMASA-N
XLogP-1.01
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol?
The IUPAC name of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol (CID 102443008) is (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol is CCCCCO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol?
The InChIKey is SNGWVXBFQQWMDJ-CHWFTXMASA-N. The full InChI is InChI=1S/C11H22O6/c1-2-3-4-5-16-11(7-13)10(15)9(14)8(6-12)17-11/h8-10,12-15H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol?
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol has a molecular weight of 250.29 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-pentoxyoxolane-3,4-diol is sourced from PubChem (CID 102443008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).