(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol

C25H50O5 — CID 68697365

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(17-26)30-25/h18-28H,6-17H2,1-5H3/t19?,20?,21?,22-,23+,24-,25-/m1/s1
InChIKeyHJNZSFUFFSJUHM-LKZVODHKSA-N
MW430.67 g/mol
LogP4.91
Rot. Bonds17

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol (PubChem CID 68697365) has the molecular formula C25H50O5 and a molecular weight of 430.67 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol
PubChem CID68697365
Molecular FormulaC25H50O5
Molecular Weight430.67 g/mol
Exact Mass430.37
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(17-26)30-25/h18-28H,6-17H2,1-5H3/t19?,20?,21?,22-,23+,24-,25-/m1/s1
InChIKeyHJNZSFUFFSJUHM-LKZVODHKSA-N
XLogP4.91
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol (CID 68697365) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol is CC(C)CCCC(C)CCCC(C)CCCC(C)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol?
The InChIKey is HJNZSFUFFSJUHM-LKZVODHKSA-N. The full InChI is InChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(17-26)30-25/h18-28H,6-17H2,1-5H3/t19?,20?,21?,22-,23+,24-,25-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol has a molecular weight of 430.67 g/mol, XLogP of 4.91, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(3,7,11,15-tetramethylhexadecoxy)oxolane-3,4-diol is sourced from PubChem (CID 68697365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).