(2R,3R)-1,2,3-trihydroxynonadecan-4-one

C19H38O4 — CID 129379361

IUPAC(2R,3R)-1,2,3-trihydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19(23)18(22)16-20/h18-20,22-23H,2-16H2,1H3/t18-,19+/m1/s1
InChIKeyJDDQUGLCHBTOIL-MOPGFXCFSA-N
MW330.51 g/mol
LogP3.75
Rot. Bonds17

About (2R,3R)-1,2,3-trihydroxynonadecan-4-one

(2R,3R)-1,2,3-trihydroxynonadecan-4-one (PubChem CID 129379361) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is (2R,3R)-1,2,3-trihydroxynonadecan-4-one.

Molecular Properties

Compound Name(2R,3R)-1,2,3-trihydroxynonadecan-4-one
PubChem CID129379361
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name(2R,3R)-1,2,3-trihydroxynonadecan-4-one
SMILESCCCCCCCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19(23)18(22)16-20/h18-20,22-23H,2-16H2,1H3/t18-,19+/m1/s1
InChIKeyJDDQUGLCHBTOIL-MOPGFXCFSA-N
XLogP3.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,2,3-trihydroxynonadecan-4-one
CID 87183242
(2R,3S)-1,2,3-trihydroxynonadecan-4-one
CID 129379360
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
(12E,14E,16E)-1,2,3-trihydroxyhenicosa-12,14,16-trien-4-one
CID 176548592
(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one
CID 141072155
oxalonitrile;1,2,3,4,5-pentahydroxyundecan-6-one
CID 175060803
(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
CID 139765419

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,2,3-trihydroxynonadecan-4-one?
The IUPAC name of (2R,3R)-1,2,3-trihydroxynonadecan-4-one (CID 129379361) is (2R,3R)-1,2,3-trihydroxynonadecan-4-one.
What is the SMILES notation for (2R,3R)-1,2,3-trihydroxynonadecan-4-one?
The canonical SMILES for (2R,3R)-1,2,3-trihydroxynonadecan-4-one is CCCCCCCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-1,2,3-trihydroxynonadecan-4-one?
The InChIKey is JDDQUGLCHBTOIL-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(21)19(23)18(22)16-20/h18-20,22-23H,2-16H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2R,3R)-1,2,3-trihydroxynonadecan-4-one?
(2R,3R)-1,2,3-trihydroxynonadecan-4-one has a molecular weight of 330.51 g/mol, XLogP of 3.75, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,2,3-trihydroxynonadecan-4-one is sourced from PubChem (CID 129379361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).