[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate

C31H63NO14S2 — CID 163276375

IUPAC[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOONOOSSOC(=O)O
InChIInChI=1S/C31H63NO14S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-39-41-43-45-44-42-40-37-32-38-46-48-47-36-31(33)34/h32H,2-30H2,1H3,(H,33,34)
InChIKeyUDXZLQBNBUUONP-UHFFFAOYSA-N
MW737.97 g/mol
LogP11.67
Rot. Bonds43

About [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate

[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate (PubChem CID 163276375) has the molecular formula C31H63NO14S2 and a molecular weight of 737.97 g/mol. Its IUPAC name is [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate.

Molecular Properties

Compound Name[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate
PubChem CID163276375
Molecular FormulaC31H63NO14S2
Molecular Weight737.97 g/mol
Exact Mass737.37
IUPAC Name[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOONOOSSOC(=O)O
InChIInChI=1S/C31H63NO14S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-39-41-43-45-44-42-40-37-32-38-46-48-47-36-31(33)34/h32H,2-30H2,1H3,(H,33,34)
InChIKeyUDXZLQBNBUUONP-UHFFFAOYSA-N
XLogP11.67
TPSA160.09 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.97
LogP ≤ 511.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

trinonacontylperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxycarbamic acid
CID 87647295
heptoxyperoxyperoxy hydrogen carbonate
CID 19818711
octadecoxyperoxyperoxyperoxy hydrogen carbonate
CID 162505521
undecylperoxyperoxy hydrogen carbonate
CID 18427254
decylperoxyperoxy hydrogen carbonate
CID 22639367
octoxyperoxy hydrogen carbonate
CID 23448449
1-butylperoxyperoxynonane
CID 90169675
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
3-(octylamino)propoxyperoxy hydrogen carbonate
CID 168890596
1-propylperoxyperoxydodecane
CID 90108856
1-butoxyperoxynonane
CID 90110144
1-nonylsulfanylperoxyperoxynonane
CID 58877381

Frequently Asked Questions

What is the IUPAC name of [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate?
The IUPAC name of [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate (CID 163276375) is [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate.
What is the SMILES notation for [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate?
The canonical SMILES for [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOOOOOOOOONOOSSOC(=O)O.
What is the InChIKey of [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate?
The InChIKey is UDXZLQBNBUUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63NO14S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-35-39-41-43-45-44-42-40-37-32-38-46-48-47-36-31(33)34/h32H,2-30H2,1H3,(H,33,34).
What are the key properties of [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate?
[(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate has a molecular weight of 737.97 g/mol, XLogP of 11.67, 43 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(triacontoxyperoxyperoxyperoxyperoxyamino)peroxydisulfanyl] hydrogen carbonate is sourced from PubChem (CID 163276375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).