trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione

C24H46N2O4 — CID 162405862

IUPACtrans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione
SMILESO=C1NCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H46N2O4/c27-21-22(28)24(30)26-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25-23(21)29/h21-22,27-28H,1-20H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyUIRHDZRUHVCRCK-FGZHOGPDSA-N
MW426.64 g/mol
LogP3.98
Rot. Bonds

About trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione

trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione (PubChem CID 162405862) has the molecular formula C24H46N2O4 and a molecular weight of 426.64 g/mol. Its IUPAC name is trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione.

Molecular Properties

Compound Nametrans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione
PubChem CID162405862
Molecular FormulaC24H46N2O4
Molecular Weight426.64 g/mol
Exact Mass426.35
IUPAC Nametrans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione
SMILESO=C1NCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H46N2O4/c27-21-22(28)24(30)26-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25-23(21)29/h21-22,27-28H,1-20H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1
InChIKeyUIRHDZRUHVCRCK-FGZHOGPDSA-N
XLogP3.98
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 53.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione?
The IUPAC name of trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione (CID 162405862) is trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione.
What is the SMILES notation for trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione?
The canonical SMILES for trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione is O=C1NCCCCCCCCCCCCCCCCCCCCNC(=O)[C@H](O)[C@H]1O.
What is the InChIKey of trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione?
The InChIKey is UIRHDZRUHVCRCK-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H46N2O4/c27-21-22(28)24(30)26-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25-23(21)29/h21-22,27-28H,1-20H2,(H,25,29)(H,26,30)/t21-,22-/m1/s1.
What are the key properties of trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione?
trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione has a molecular weight of 426.64 g/mol, XLogP of 3.98, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3R,4R)-3,4-dihydroxy-1,6-diazacyclohexacosane-2,5-dione is sourced from PubChem (CID 162405862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).