aminomethanol;decahydrate

C90H470N90O100 — CID 173289728

IUPACaminomethanol;decahydrate
SMILESNCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/90CH5NO.10H2O/c90*2-1-3;;;;;;;;;;/h90*3H,1-2H2;10*1H2
InChIKeyIEQRDUBKCZDIOE-UHFFFAOYSA-N
MW4415.28 g/mol
LogP-107.71
Rot. Bonds

About aminomethanol;decahydrate

aminomethanol;decahydrate (PubChem CID 173289728) has the molecular formula C90H470N90O100 and a molecular weight of 4415.28 g/mol. Its IUPAC name is aminomethanol;decahydrate.

Molecular Properties

Compound Nameaminomethanol;decahydrate
PubChem CID173289728
Molecular FormulaC90H470N90O100
Molecular Weight4415.28 g/mol
Exact Mass4413.45
IUPAC Nameaminomethanol;decahydrate
SMILESNCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.O.O.O.O.O.O.O.O.O.O
InChIInChI=1S/90CH5NO.10H2O/c90*2-1-3;;;;;;;;;;/h90*3H,1-2H2;10*1H2
InChIKeyIEQRDUBKCZDIOE-UHFFFAOYSA-N
XLogP-107.71
TPSA4477.50 Ų
H-Bond Donors180
H-Bond Acceptors180
Rotatable Bonds
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004415.28
LogP ≤ 5-107.71
H-Bond Donors ≤ 5180
H-Bond Acceptors ≤ 10180

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Aminomethanol;hydrate
CID 173016352
Aminomethanol;dihydrate
CID 173179339
Aminomethanol;pentahydrate
CID 173199147
Aminomethanol;hydrate
CID 173270286

Frequently Asked Questions

What is the IUPAC name of aminomethanol;decahydrate?
The IUPAC name of aminomethanol;decahydrate (CID 173289728) is aminomethanol;decahydrate.
What is the SMILES notation for aminomethanol;decahydrate?
The canonical SMILES for aminomethanol;decahydrate is NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.NCO.O.O.O.O.O.O.O.O.O.O.
What is the InChIKey of aminomethanol;decahydrate?
The InChIKey is IEQRDUBKCZDIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/90CH5NO.10H2O/c90*2-1-3;;;;;;;;;;/h90*3H,1-2H2;10*1H2.
What are the key properties of aminomethanol;decahydrate?
aminomethanol;decahydrate has a molecular weight of 4415.28 g/mol, XLogP of -107.71, 0 rotatable bonds, 180 hydrogen bond donors, and 180 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethanol;decahydrate is sourced from PubChem (CID 173289728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).