N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide

C18H35NO6 — CID 132547255

IUPACN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C18H35NO6/c1-2-3-4-5-6-7-8-9-10-11-14(21)19-15-17(23)16(22)13(12-20)25-18(15)24/h13,15-18,20,22-24H,2-12H2,1H3,(H,19,21)/t13-,15-,16-,17-,18-/m1/s1
InChIKeyPBZPNNVVKDHMGF-JVNHZCFISA-N
MW361.48 g/mol
LogP0.82
Rot. Bonds12

About N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide

N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide (PubChem CID 132547255) has the molecular formula C18H35NO6 and a molecular weight of 361.48 g/mol. Its IUPAC name is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide
PubChem CID132547255
Molecular FormulaC18H35NO6
Molecular Weight361.48 g/mol
Exact Mass361.25
IUPAC NameN-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C18H35NO6/c1-2-3-4-5-6-7-8-9-10-11-14(21)19-15-17(23)16(22)13(12-20)25-18(15)24/h13,15-18,20,22-24H,2-12H2,1H3,(H,19,21)/t13-,15-,16-,17-,18-/m1/s1
InChIKeyPBZPNNVVKDHMGF-JVNHZCFISA-N
XLogP0.82
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 50.82
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide?
The IUPAC name of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide (CID 132547255) is N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide.
What is the SMILES notation for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide?
The canonical SMILES for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide?
The InChIKey is PBZPNNVVKDHMGF-JVNHZCFISA-N. The full InChI is InChI=1S/C18H35NO6/c1-2-3-4-5-6-7-8-9-10-11-14(21)19-15-17(23)16(22)13(12-20)25-18(15)24/h13,15-18,20,22-24H,2-12H2,1H3,(H,19,21)/t13-,15-,16-,17-,18-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide?
N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide has a molecular weight of 361.48 g/mol, XLogP of 0.82, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]dodecanamide is sourced from PubChem (CID 132547255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).