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Chemical ID: 6045978
Chemical ID:
6045978
Name [?]:
N-[2-hydroxy-1-(hydroxymethyl)heptadecyl]hexadecanamide
SMILES [?]:
CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O
InChi [?]:
InChI=1/C34H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32-33,36-37H,3-31H2,1-2H3,(H,35,38)
InChi Info:
AuxInfo=1/1/N:1,37,2,36,3,35,4,34,5,33,6,32,7,31,8,30,9,29,10,28,11,27,12,26,13,25,14,24,15,23,18,17,16,21,20,19,38,22/rA:38cCCCCCCCCCCCCCCCCCCONCOCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s17;s20;d21;s21;s23;s24;s25;s26;s27;s28;s29;s30;s31;s32;s33;s34;s35;s36;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H69NO3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 22.5917 |
Area: | 1051.76 |
Solvation: | -3.70221 |
Coulombic: | -61.9536 |
Bond Count [?]
All: | 37 |
Single: | 36 |
Double: | 1 |
Rotors: | 32 |
Chiral: | 0 |
Rigid Segments: | 18 |
Chemical Properties
Molecular Weight: | 539.917 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 11.45 |
LogP (Chemaxon): | 10.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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