trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate

C22H40N6O5 — CID 135877426

IUPACtrans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate
SMILESC[C@@H]1CCCC([C@@H]2CNC(N)=N2)C(=O)OC[C@H](C)CCCC(C2CNC(N)=N2)C(=O)OC1.O
InChIInChI=1S/C22H38N6O4.H2O/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18;/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28);1H2/t13-,14-,15?,16?,17+,18?;/m1./s1
InChIKeyYTLBAEMJJZJZRH-ZUGPGUARSA-N
MW468.60 g/mol
LogP-0.32
Rot. Bonds2

About trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate

trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate (PubChem CID 135877426) has the molecular formula C22H40N6O5 and a molecular weight of 468.60 g/mol. Its IUPAC name is trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate.

Molecular Properties

Compound Nametrans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate
PubChem CID135877426
Molecular FormulaC22H40N6O5
Molecular Weight468.60 g/mol
Exact Mass468.31
IUPAC Nametrans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate
SMILESC[C@@H]1CCCC([C@@H]2CNC(N)=N2)C(=O)OC[C@H](C)CCCC(C2CNC(N)=N2)C(=O)OC1.O
InChIInChI=1S/C22H38N6O4.H2O/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18;/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28);1H2/t13-,14-,15?,16?,17+,18?;/m1./s1
InChIKeyYTLBAEMJJZJZRH-ZUGPGUARSA-N
XLogP-0.32
TPSA184.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate with MolForge

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Related Compounds

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3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1-one;ethane
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(3R,5R)-3,5-dimethyloxan-2-one
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(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
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(25Z)-32-methyl-1-oxacyclotritriacont-25-en-2-one
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(5S)-5-ethyl-3,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]furan-1-one
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(3aR,7aR)-4-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate?
The IUPAC name of trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate (CID 135877426) is trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate.
What is the SMILES notation for trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate?
The canonical SMILES for trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate is C[C@@H]1CCCC([C@@H]2CNC(N)=N2)C(=O)OC[C@H](C)CCCC(C2CNC(N)=N2)C(=O)OC1.O.
What is the InChIKey of trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate?
The InChIKey is YTLBAEMJJZJZRH-ZUGPGUARSA-N. The full InChI is InChI=1S/C22H38N6O4.H2O/c1-13-5-3-7-15(17-9-25-21(23)27-17)20(30)32-12-14(2)6-4-8-16(19(29)31-11-13)18-10-26-22(24)28-18;/h13-18H,3-12H2,1-2H3,(H3,23,25,27)(H3,24,26,28);1H2/t13-,14-,15?,16?,17+,18?;/m1./s1.
What are the key properties of trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate?
trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate has a molecular weight of 468.60 g/mol, XLogP of -0.32, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(7R,15R)-3-(2-amino-4,5-dihydro-1H-imidazol-4-yl)-11-[(4R)-2-amino-4,5-dihydro-1H-imidazol-4-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione;hydrate is sourced from PubChem (CID 135877426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).