azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate

C8H15N3O11 — CID 174909619

IUPACazane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
SMILESN.N.N.O=C(O)O.O=C(O)OC(=O)OC(=O)Oc1ccco1
InChIInChI=1S/C7H4O8.CH2O3.3H3N/c8-5(9)14-7(11)15-6(10)13-4-2-1-3-12-4;2-1(3)4;;;/h1-3H,(H,8,9);(H2,2,3,4);3*1H3
InChIKeyLGMFGWXPWBDMNS-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.32
Rot. Bonds1

About azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate

azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate (PubChem CID 174909619) has the molecular formula C8H15N3O11 and a molecular weight of 329.22 g/mol. Its IUPAC name is azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate.

Molecular Properties

Compound Nameazane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
PubChem CID174909619
Molecular FormulaC8H15N3O11
Molecular Weight329.22 g/mol
Exact Mass329.07
IUPAC Nameazane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate
SMILESN.N.N.O=C(O)O.O=C(O)OC(=O)OC(=O)Oc1ccco1
InChIInChI=1S/C7H4O8.CH2O3.3H3N/c8-5(9)14-7(11)15-6(10)13-4-2-1-3-12-4;2-1(3)4;;;/h1-3H,(H,8,9);(H2,2,3,4);3*1H3
InChIKeyLGMFGWXPWBDMNS-UHFFFAOYSA-N
XLogP2.32
TPSA274.80 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500329.22
LogP ≤ 52.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

calcium;furan-2-yl hydrogen carbonate;hydride;hydrate
CID 173498538
potassium furan-2-yl carbonate
CID 174835445
furan-2-yl 3-amino-3-oxopropanoate
CID 141082647
furan-2-yl triphenylgermylformate
CID 11101761
CID 101033602
CID 101033602
furan-2-yl 2-phenylbut-3-ynoate
CID 102070869
furan-2-yl 2,4-dimethylpentanoate
CID 11998473
furan-2-yl 2,3-dimethylbenzoate
CID 175196099
dicarboxy carbonate;manganese
CID 174775106
furan-2-yl 2-hydroxy-2-(phenoxymethoxy)acetate
CID 58854776
furan-2-yl (1S,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 100808985
carboxy (2,5-dioxofuran-3-yl) carbonate
CID 57116736

Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate?
The IUPAC name of azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate (CID 174909619) is azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate.
What is the SMILES notation for azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate?
The canonical SMILES for azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate is N.N.N.O=C(O)O.O=C(O)OC(=O)OC(=O)Oc1ccco1.
What is the InChIKey of azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate?
The InChIKey is LGMFGWXPWBDMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4O8.CH2O3.3H3N/c8-5(9)14-7(11)15-6(10)13-4-2-1-3-12-4;2-1(3)4;;;/h1-3H,(H,8,9);(H2,2,3,4);3*1H3.
What are the key properties of azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate?
azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate has a molecular weight of 329.22 g/mol, XLogP of 2.32, 1 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;carboxy furan-2-yloxycarbonyl carbonate is sourced from PubChem (CID 174909619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).