(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol

C40H78O6 — CID 25223006

IUPAC(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
SMILESCCCCCCCCCCCCCCO[C@H]1[C@@H](OC)O[C@H](COC2CCCC2)[C@@H](O)[C@@H]1OCCCCCCCCCCCCCC
InChIInChI=1S/C40H78O6/c1-4-6-8-10-12-14-16-18-20-22-24-28-32-43-38-37(41)36(34-45-35-30-26-27-31-35)46-40(42-3)39(38)44-33-29-25-23-21-19-17-15-13-11-9-7-5-2/h35-41H,4-34H2,1-3H3/t36-,37-,38+,39-,40+/m1/s1
InChIKeyTYVANODGZIFRHX-DTQLOPILSA-N
MW655.06 g/mol
LogP10.85
Rot. Bonds32

About (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol

(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol (PubChem CID 25223006) has the molecular formula C40H78O6 and a molecular weight of 655.06 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
PubChem CID25223006
Molecular FormulaC40H78O6
Molecular Weight655.06 g/mol
Exact Mass654.58
IUPAC Name(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
SMILESCCCCCCCCCCCCCCO[C@H]1[C@@H](OC)O[C@H](COC2CCCC2)[C@@H](O)[C@@H]1OCCCCCCCCCCCCCC
InChIInChI=1S/C40H78O6/c1-4-6-8-10-12-14-16-18-20-22-24-28-32-43-38-37(41)36(34-45-35-30-26-27-31-35)46-40(42-3)39(38)44-33-29-25-23-21-19-17-15-13-11-9-7-5-2/h35-41H,4-34H2,1-3H3/t36-,37-,38+,39-,40+/m1/s1
InChIKeyTYVANODGZIFRHX-DTQLOPILSA-N
XLogP10.85
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds32
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.06
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl-[[3-hydroxy-6-methoxy-4,5-di(tetradecoxy)oxan-2-yl]methyl]-dimethylazanium
CID 25106039
(2R,3R,4S,5R,6R)-4-dodecoxy-2-(hydroxymethyl)-5,6-dioctoxyoxan-3-ol
CID 101366680
[(2R,3S,4R)-3,5-dimethoxy-4-octadecoxyoxolan-2-yl]methanol
CID 22828524
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-octoxyoxolan-2-yl]methoxy]-5-(methoxymethyl)oxolane-3,4-diol
CID 11165716
(2R,3R,4S,5R)-2-(methoxymethyl)-5-pentoxy-6-propan-2-yloxy-4-propoxyoxan-3-ol
CID 20739031
(2R,3R,4S,5R,6R,7R)-5,6-dibutoxy-7-(butoxymethyl)-2-methoxyoxepane-3,4-diol
CID 71171695
2-[(5-decoxy-3,4-dihydroxyoxolan-2-yl)methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 545993
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-hexoxyoxane-3,4,5-triol
CID 131751182
(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-dioctoxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 10076944
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-5-[(Z)-octadec-11-enoxy]oxane-3,4-diol
CID 141122499
octoxycyclopentane
CID 14691467
pentadecoxycyclopentane
CID 155570194

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol (CID 25223006) is (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol is CCCCCCCCCCCCCCO[C@H]1[C@@H](OC)O[C@H](COC2CCCC2)[C@@H](O)[C@@H]1OCCCCCCCCCCCCCC.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol?
The InChIKey is TYVANODGZIFRHX-DTQLOPILSA-N. The full InChI is InChI=1S/C40H78O6/c1-4-6-8-10-12-14-16-18-20-22-24-28-32-43-38-37(41)36(34-45-35-30-26-27-31-35)46-40(42-3)39(38)44-33-29-25-23-21-19-17-15-13-11-9-7-5-2/h35-41H,4-34H2,1-3H3/t36-,37-,38+,39-,40+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol?
(2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol has a molecular weight of 655.06 g/mol, XLogP of 10.85, 32 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(cyclopentyloxymethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol is sourced from PubChem (CID 25223006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).