phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

C17H18N2O6 — CID 137078723

IUPACphenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@H](O)[C@H](O)[C@H](O)CO.Oc1cccc2nc3ccccc3nc12
InChIInChI=1S/C12H8N2O.C5H10O5/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;6-1-3(8)5(10)4(9)2-7/h1-7,15H;1,3-5,7-10H,2H2/t;3-,4+,5-/m.0/s1
InChIKeyCFVBAFQSLWPLOP-HEEXEHOYSA-N
MW346.34 g/mol
LogP-0.25
Rot. Bonds4

About phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal

phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 137078723) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Namephenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID137078723
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Namephenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
SMILESO=C[C@H](O)[C@H](O)[C@H](O)CO.Oc1cccc2nc3ccccc3nc12
InChIInChI=1S/C12H8N2O.C5H10O5/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;6-1-3(8)5(10)4(9)2-7/h1-7,15H;1,3-5,7-10H,2H2/t;3-,4+,5-/m.0/s1
InChIKeyCFVBAFQSLWPLOP-HEEXEHOYSA-N
XLogP-0.25
TPSA144.00 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(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
(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
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
benzene;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 161438638
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
benzaldehyde;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 88742811
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;styrene
CID 157337689
furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 146448376

Frequently Asked Questions

What is the IUPAC name of phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal (CID 137078723) is phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is O=C[C@H](O)[C@H](O)[C@H](O)CO.Oc1cccc2nc3ccccc3nc12.
What is the InChIKey of phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is CFVBAFQSLWPLOP-HEEXEHOYSA-N. The full InChI is InChI=1S/C12H8N2O.C5H10O5/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10;6-1-3(8)5(10)4(9)2-7/h1-7,15H;1,3-5,7-10H,2H2/t;3-,4+,5-/m.0/s1.
What are the key properties of phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal?
phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 346.34 g/mol, XLogP of -0.25, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenazin-1-ol;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 137078723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).