(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal

C20H40O6 — CID 139685407

IUPAC(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal
SMILESCCCCCCCCCCCCCCOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-16-18(23)20(25)19(24)17(22)15-21/h15,17-20,22-25H,2-14,16H2,1H3/t17-,18+,19+,20-/m0/s1
InChIKeyJGQAVCMEDDKRFT-NMLBUPMWSA-N
MW376.53 g/mol
LogP2.35
Rot. Bonds19

About (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal

(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal (PubChem CID 139685407) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal
PubChem CID139685407
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal
SMILESCCCCCCCCCCCCCCOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
InChIInChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-16-18(23)20(25)19(24)17(22)15-21/h15,17-20,22-25H,2-14,16H2,1H3/t17-,18+,19+,20-/m0/s1
InChIKeyJGQAVCMEDDKRFT-NMLBUPMWSA-N
XLogP2.35
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hexadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 172817489
[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] octadecanoate
CID 88664091
dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane
CID 173393072
hexadecan-1-amine;2,3,4,5,6-pentahydroxyhexanal
CID 175331920
methyl-dioctadecyl-[5-[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentyl]azanium
CID 11400196
2,3-dihydroxy-4-octadecoxybutanamide
CID 172847060
6-hexoxy-4,5-dihydroxyhex-1-en-3-one
CID 174551719
1-pentoxyoctane-2,3-diol
CID 88758443
6-[16-(2,3,4,5,6-pentahydroxyhexoxy)hexadecoxy]hexane-1,2,3,4,5-pentol
CID 550069
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
(2S,3R)-2,4-di(nonoxy)butane-1,3-diol
CID 175531574

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal?
The IUPAC name of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal (CID 139685407) is (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal.
What is the SMILES notation for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal?
The canonical SMILES for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal is CCCCCCCCCCCCCCOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O.
What is the InChIKey of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal?
The InChIKey is JGQAVCMEDDKRFT-NMLBUPMWSA-N. The full InChI is InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-16-18(23)20(25)19(24)17(22)15-21/h15,17-20,22-25H,2-14,16H2,1H3/t17-,18+,19+,20-/m0/s1.
What are the key properties of (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal?
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal has a molecular weight of 376.53 g/mol, XLogP of 2.35, 19 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-tetradecoxyhexanal is sourced from PubChem (CID 139685407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).