3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C10H19N5O6 — CID 54738629

IUPAC3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C6H8O6.C4H11N5/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-9(2)4(7)8-3(5)6/h2,5,7-10H,1H2;1-2H3,(H5,5,6,7,8)/t2-,5+;/m0./s1
InChIKeyGJMMYZATKYNGTJ-RXSVEWSESA-N
MW305.29 g/mol
LogP-2.65
Rot. Bonds2

About 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54738629) has the molecular formula C10H19N5O6 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54738629
Molecular FormulaC10H19N5O6
Molecular Weight305.29 g/mol
Exact Mass305.13
IUPAC Name3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C6H8O6.C4H11N5/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-9(2)4(7)8-3(5)6/h2,5,7-10H,1H2;1-2H3,(H5,5,6,7,8)/t2-,5+;/m0./s1
InChIKeyGJMMYZATKYNGTJ-RXSVEWSESA-N
XLogP-2.65
TPSA198.71 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.29
LogP ≤ 5-2.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[carbamimidoyl(methyl)amino]acetic acid;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
CID 54702836
2-carbamimidoyl-1,1-dimethylguanidine;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 176519496
2-carbamimidoyl-1,1-dimethylguanidine;[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 176535404

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54738629) is 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[H]/N=C(/N=C(N)N)N(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is GJMMYZATKYNGTJ-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.C4H11N5/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-9(2)4(7)8-3(5)6/h2,5,7-10H,1H2;1-2H3,(H5,5,6,7,8)/t2-,5+;/m0./s1.
What are the key properties of 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 305.29 g/mol, XLogP of -2.65, 2 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-dimethylguanidine;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54738629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).