λ2-plumbane;1-nitropropane-1,2,3-triol

C3H9NO5Pb — CID 174607017

IUPACλ2-plumbane;1-nitropropane-1,2,3-triol
SMILESO=[N+]([O-])C(O)C(O)CO.[PbH2]
InChIInChI=1S/C3H7NO5.Pb.2H/c5-1-2(6)3(7)4(8)9;;;/h2-3,5-7H,1H2;;;
InChIKeyFCFRJCDQZSGMHF-UHFFFAOYSA-N
MW346.31 g/mol
LogP-2.98
Rot. Bonds3

About λ2-plumbane;1-nitropropane-1,2,3-triol

λ2-plumbane;1-nitropropane-1,2,3-triol (PubChem CID 174607017) has the molecular formula C3H9NO5Pb and a molecular weight of 346.31 g/mol. Its IUPAC name is λ2-plumbane;1-nitropropane-1,2,3-triol.

Molecular Properties

Compound Nameλ2-plumbane;1-nitropropane-1,2,3-triol
PubChem CID174607017
Molecular FormulaC3H9NO5Pb
Molecular Weight346.31 g/mol
Exact Mass347.02
IUPAC Nameλ2-plumbane;1-nitropropane-1,2,3-triol
SMILESO=[N+]([O-])C(O)C(O)CO.[PbH2]
InChIInChI=1S/C3H7NO5.Pb.2H/c5-1-2(6)3(7)4(8)9;;;/h2-3,5-7H,1H2;;;
InChIKeyFCFRJCDQZSGMHF-UHFFFAOYSA-N
XLogP-2.98
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 5-2.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dinitroglycerin
CID 15140008
1,4-Dinitrobutane-2,3-diol
CID 20471139
1-Nitropropane-1,2,3-triol
CID 21977402
1,1-Dinitropropane-1,2,3-triol
CID 54558064
(2,3-Dihydroxy-1-nitropropyl) nitrate
CID 87365833
Nitroglycerin Alkohol
CID 129645583
1-Nitrobutane-2,3-diol
CID 131257567
3,3-Dinitropropane-1,2-diol
CID 91459295
1,2-Propanediol, 3-nitro-
CID 12142993
1-Nitropropane-1,2-diol
CID 12386706
4-Nitrobutane-1,2,3-triol
CID 14886386
(2R,3S)-4-nitrobutane-1,2,3-triol
CID 14886387

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;1-nitropropane-1,2,3-triol?
The IUPAC name of λ2-plumbane;1-nitropropane-1,2,3-triol (CID 174607017) is λ2-plumbane;1-nitropropane-1,2,3-triol.
What is the SMILES notation for λ2-plumbane;1-nitropropane-1,2,3-triol?
The canonical SMILES for λ2-plumbane;1-nitropropane-1,2,3-triol is O=[N+]([O-])C(O)C(O)CO.[PbH2].
What is the InChIKey of λ2-plumbane;1-nitropropane-1,2,3-triol?
The InChIKey is FCFRJCDQZSGMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5.Pb.2H/c5-1-2(6)3(7)4(8)9;;;/h2-3,5-7H,1H2;;;.
What are the key properties of λ2-plumbane;1-nitropropane-1,2,3-triol?
λ2-plumbane;1-nitropropane-1,2,3-triol has a molecular weight of 346.31 g/mol, XLogP of -2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;1-nitropropane-1,2,3-triol is sourced from PubChem (CID 174607017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).