(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol

C17H34O5 — CID 101009516

IUPAC(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-21-17-16(20)15(19)14(13-18)22-17/h14-20H,2-13H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyNXWOMTNQJLXSFE-QBPKDAKJSA-N
MW318.45 g/mol
LogP2.36
Rot. Bonds13

About (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 101009516) has the molecular formula C17H34O5 and a molecular weight of 318.45 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID101009516
Molecular FormulaC17H34O5
Molecular Weight318.45 g/mol
Exact Mass318.24
IUPAC Name(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-21-17-16(20)15(19)14(13-18)22-17/h14-20H,2-13H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyNXWOMTNQJLXSFE-QBPKDAKJSA-N
XLogP2.36
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol (CID 101009516) is (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol is CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is NXWOMTNQJLXSFE-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-21-17-16(20)15(19)14(13-18)22-17/h14-20H,2-13H2,1H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 318.45 g/mol, XLogP of 2.36, 13 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-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 101009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).