2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine

C6H14N4O4 — CID 129434404

IUPAC2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine
SMILESNC(N)=NN=C[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14N4O4/c7-6(8)10-9-1-3(12)5(14)4(13)2-11/h1,3-5,11-14H,2H2,(H4,7,8,10)/t3-,4+,5-/m0/s1
InChIKeyVZOXDEQSHCNUSR-LMVFSUKVSA-N
MW206.20 g/mol
LogP-3.68
Rot. Bonds5

About 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine

2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine (PubChem CID 129434404) has the molecular formula C6H14N4O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine.

Molecular Properties

Compound Name2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine
PubChem CID129434404
Molecular FormulaC6H14N4O4
Molecular Weight206.20 g/mol
Exact Mass206.10
IUPAC Name2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine
SMILESNC(N)=NN=C[C@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H14N4O4/c7-6(8)10-9-1-3(12)5(14)4(13)2-11/h1,3-5,11-14H,2H2,(H4,7,8,10)/t3-,4+,5-/m0/s1
InChIKeyVZOXDEQSHCNUSR-LMVFSUKVSA-N
XLogP-3.68
TPSA157.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.20
LogP ≤ 5-3.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine with MolForge

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Related Compounds

(2S,3R,4S,5E)-5-hydroxyiminopentane-1,2,3,4-tetrol
CID 21159531
1-methyl-1-[(Z)-[(2R,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]thiourea
CID 10014380
(2R,3S,4R,5S,6E)-6-hydrazinylidenehexane-1,2,3,4,5-pentol;platinum;hydrochloride
CID 88689759
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
[(Z)-[(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]urea
CID 129449936
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
2,3,4,5-tetrahydroxypentanethial
CID 18533987
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine?
The IUPAC name of 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine (CID 129434404) is 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine.
What is the SMILES notation for 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine?
The canonical SMILES for 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine is NC(N)=NN=C[C@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine?
The InChIKey is VZOXDEQSHCNUSR-LMVFSUKVSA-N. The full InChI is InChI=1S/C6H14N4O4/c7-6(8)10-9-1-3(12)5(14)4(13)2-11/h1,3-5,11-14H,2H2,(H4,7,8,10)/t3-,4+,5-/m0/s1.
What are the key properties of 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine?
2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine has a molecular weight of 206.20 g/mol, XLogP of -3.68, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S,4R)-2,3,4,5-tetrahydroxypentylidene]amino]guanidine is sourced from PubChem (CID 129434404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).