(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one

C30H56O7 — CID 53355124

IUPAC(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C30H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(31)19-25(32)20-26(33)21-27(34)22-28(35)23-29-17-15-18-30(36)37-29/h15,18,24-29,31-35H,2-14,16-17,19-23H2,1H3/t24?,25?,26?,27?,28?,29-/m1/s1
InChIKeyGHNAMLOEGLSFMB-VHRROBFRSA-N
MW528.77 g/mol
LogP5.09
Rot. Bonds24

About (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one

(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one (PubChem CID 53355124) has the molecular formula C30H56O7 and a molecular weight of 528.77 g/mol. Its IUPAC name is (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
PubChem CID53355124
Molecular FormulaC30H56O7
Molecular Weight528.77 g/mol
Exact Mass528.40
IUPAC Name(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C30H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(31)19-25(32)20-26(33)21-27(34)22-28(35)23-29-17-15-18-30(36)37-29/h15,18,24-29,31-35H,2-14,16-17,19-23H2,1H3/t24?,25?,26?,27?,28?,29-/m1/s1
InChIKeyGHNAMLOEGLSFMB-VHRROBFRSA-N
XLogP5.09
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 55.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(2S,4S,6S)-2,4,6-trihydroxyheptyl]-2,3-dihydropyran-6-one
CID 11184129
(2R)-2-[(E,2R)-2,12-dihydroxynonadec-3-enyl]-2,3-dihydropyran-6-one
CID 122178737
3-hydroxy-2-(2,4,6,8-tetrahydroxytricosyl)-2,3-dihydropyran-6-one
CID 75995977
2-nonyl-2,3-dihydropyran-6-one
CID 15825660
2-(2-hydroxy-6-phenylhexyl)-2,3-dihydropyran-6-one
CID 74817578
(2S)-2-pentyl-2,3-dihydropyran-6-one;(2R)-2-pentyl-2,3-dihydropyran-6-one
CID 91936907
(2S)-2-[(4R)-4-methoxynonyl]-2,3-dihydropyran-6-one
CID 52953296
2-(4-methoxynonyl)-2,3-dihydropyran-6-one
CID 75972408
7-[(2R,4R,6R)-2,4,6-trihydroxytridecyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 134842825
2-(2-hydroxytridecyl)-6-methyl-2,3-dihydropyran-4-one
CID 162818844
(2R)-2-[(E,2R,4S)-2,4-dihydroxy-6-phenylhex-5-enyl]-2,3-dihydropyran-6-one
CID 101052038
2-(1,2-dihydroxyhexyl)-2,3-dihydropyran-6-one
CID 100918704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one (CID 53355124) is (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one is CCCCCCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC(O)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one?
The InChIKey is GHNAMLOEGLSFMB-VHRROBFRSA-N. The full InChI is InChI=1S/C30H56O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(31)19-25(32)20-26(33)21-27(34)22-28(35)23-29-17-15-18-30(36)37-29/h15,18,24-29,31-35H,2-14,16-17,19-23H2,1H3/t24?,25?,26?,27?,28?,29-/m1/s1.
What are the key properties of (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one?
(2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one has a molecular weight of 528.77 g/mol, XLogP of 5.09, 24 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,6,8,10-pentahydroxypentacosyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 53355124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).