(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol

C24H51NO5 — CID 10478004

IUPAC(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCCCCCN(C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C24H51NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(2)19-21(27)23(29)24(30)22(28)20-26/h21-24,26-30H,3-20H2,1-2H3/t21-,22-,23-,24+/m1/s1
InChIKeyMBLQEKKRONFHSA-YCAMKHIRSA-N
MW433.67 g/mol
LogP3.23
Rot. Bonds22

About (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol

(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol (PubChem CID 10478004) has the molecular formula C24H51NO5 and a molecular weight of 433.67 g/mol. Its IUPAC name is (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
PubChem CID10478004
Molecular FormulaC24H51NO5
Molecular Weight433.67 g/mol
Exact Mass433.38
IUPAC Name(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCCCCCN(C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C24H51NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(2)19-21(27)23(29)24(30)22(28)20-26/h21-24,26-30H,3-20H2,1-2H3/t21-,22-,23-,24+/m1/s1
InChIKeyMBLQEKKRONFHSA-YCAMKHIRSA-N
XLogP3.23
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.67
LogP ≤ 53.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
CID 72549336
(2R,3S,4R,5R)-6-[dodecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10316673
(2R,3R,4R,5S)-6-[octadecyl-[6-[octadecyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]amino]hexane-1,2,3,4,5-pentol
CID 101236123
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
sodium N-octyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 102527026
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
CID 15143245
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985
(2R,3R,4S)-5-[2-aminoethyl(hexyl)amino]pentane-1,2,3,4-tetrol
CID 118385579

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol (CID 10478004) is (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol is CCCCCCCCCCCCCCCCCN(C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol?
The InChIKey is MBLQEKKRONFHSA-YCAMKHIRSA-N. The full InChI is InChI=1S/C24H51NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(2)19-21(27)23(29)24(30)22(28)20-26/h21-24,26-30H,3-20H2,1-2H3/t21-,22-,23-,24+/m1/s1.
What are the key properties of (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol?
(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol has a molecular weight of 433.67 g/mol, XLogP of 3.23, 22 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 10478004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).