8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide

C39H61F17N2O7 — CID 101126357

IUPAC8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide
SMILESCCCCCCCCCCCCCCCCNN(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C39H61F17N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-57-58(23-24-64-31-30(63)29(62)28(61)26(25-59)65-31)27(60)20-17-14-15-18-21-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h26,28-31,57,59,61-63H,2-25H2,1H3/t26-,28+,29+,30-,31-/m1/s1
InChIKeyVGWQHIDTTVIOHN-HPLFBIAMSA-N
MW992.89 g/mol
LogP9.97
Rot. Bonds34

About 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide

8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide (PubChem CID 101126357) has the molecular formula C39H61F17N2O7 and a molecular weight of 992.89 g/mol. Its IUPAC name is 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide.

Molecular Properties

Compound Name8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide
PubChem CID101126357
Molecular FormulaC39H61F17N2O7
Molecular Weight992.89 g/mol
Exact Mass992.42
IUPAC Name8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide
SMILESCCCCCCCCCCCCCCCCNN(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C39H61F17N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-57-58(23-24-64-31-30(63)29(62)28(61)26(25-59)65-31)27(60)20-17-14-15-18-21-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h26,28-31,57,59,61-63H,2-25H2,1H3/t26-,28+,29+,30-,31-/m1/s1
InChIKeyVGWQHIDTTVIOHN-HPLFBIAMSA-N
XLogP9.97
TPSA131.72 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds34
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.89
LogP ≤ 59.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecoxy)oxane-3,4,5-triol
CID 25188293
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(11,11,12,12,13,13,14,14,14-nonafluorotetradecoxy)oxane-3,4,5-triol
CID 25188031
2-amino-N-(12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanamide
CID 10372830
(2R,3R,4S,5R,6R)-2-[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122386719
6-(propanoylamino)-N,N-bis[2-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]hexanamide
CID 170422234
N-[2-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]octadecanamide
CID 91160205
N-[1-hydroxy-2-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)propanamide
CID 25136860
(2S,3R,4S,5R,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11854119
(2R,3R,4S,5R)-2-dodecoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 101009516
(3S,6R)-2-(hydroxymethyl)-6-octoxyoxane-3,4,5-triol
CID 126757882
(3S,5S,6R)-2-(hydroxymethyl)-6-octadecoxyoxane-3,4,5-triol
CID 121392259
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pentadecoxyoxane-3,4,5-triol
CID 68555640

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide?
The IUPAC name of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide (CID 101126357) is 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide.
What is the SMILES notation for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide?
The canonical SMILES for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide is CCCCCCCCCCCCCCCCNN(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide?
The InChIKey is VGWQHIDTTVIOHN-HPLFBIAMSA-N. The full InChI is InChI=1S/C39H61F17N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-57-58(23-24-64-31-30(63)29(62)28(61)26(25-59)65-31)27(60)20-17-14-15-18-21-32(40,41)33(42,43)34(44,45)35(46,47)36(48,49)37(50,51)38(52,53)39(54,55)56/h26,28-31,57,59,61-63H,2-25H2,1H3/t26-,28+,29+,30-,31-/m1/s1.
What are the key properties of 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide?
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide has a molecular weight of 992.89 g/mol, XLogP of 9.97, 34 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoro-N'-hexadecyl-N-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]pentadecanehydrazide is sourced from PubChem (CID 101126357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).