N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

C15H29NO10 — CID 58731374

IUPACN-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
SMILESCCCCNC(=O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H29NO10/c1-2-3-4-16-14(24)12(22)9(19)7(18)6-25-15-13(23)11(21)10(20)8(5-17)26-15/h7-13,15,17-23H,2-6H2,1H3,(H,16,24)
InChIKeyOKECFZFXNMNWMZ-UHFFFAOYSA-N
MW383.39 g/mol
LogP-4.20
Rot. Bonds10

About N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide

N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (PubChem CID 58731374) has the molecular formula C15H29NO10 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.

Molecular Properties

Compound NameN-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
PubChem CID58731374
Molecular FormulaC15H29NO10
Molecular Weight383.39 g/mol
Exact Mass383.18
IUPAC NameN-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
SMILESCCCCNC(=O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H29NO10/c1-2-3-4-16-14(24)12(22)9(19)7(18)6-25-15-13(23)11(21)10(20)8(5-17)26-15/h7-13,15,17-23H,2-6H2,1H3,(H,16,24)
InChIKeyOKECFZFXNMNWMZ-UHFFFAOYSA-N
XLogP-4.20
TPSA189.17 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.39
LogP ≤ 5-4.20
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-N-tetradecyl-6-[(2S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 174074470
N-butyl-2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 59715556
N-dodecyl-2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 85323955
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-N-tetradecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 102021980
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-N-nonadecyl-4-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 176616141
(3R,4R)-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptane-2,3,4,5-tetrol
CID 164799894
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 101334752
N-[(2S)-1-(hexylamino)-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]octadecanamide
CID 10461492
N-[(2S)-1-oxo-1-(tetradecylamino)-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]hexadecanamide
CID 90664187
(3R,4S,5R)-3,4,5,6-tetrahydroxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one;(2R,3R,4R,5R)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 118692978
(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-N-[8-[[(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoyl]amino]octyl]-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 11765973
N-[9-[[3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]amino]-9-oxononyl]decanamide
CID 137439848

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The IUPAC name of N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide (CID 58731374) is N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide.
What is the SMILES notation for N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The canonical SMILES for N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is CCCCNC(=O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
The InChIKey is OKECFZFXNMNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO10/c1-2-3-4-16-14(24)12(22)9(19)7(18)6-25-15-13(23)11(21)10(20)8(5-17)26-15/h7-13,15,17-23H,2-6H2,1H3,(H,16,24).
What are the key properties of N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide?
N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide has a molecular weight of 383.39 g/mol, XLogP of -4.20, 10 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,4-trihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide is sourced from PubChem (CID 58731374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).