[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate

C19H18N2O6 — CID 139585741

IUPAC[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate
SMILESC[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H18N2O6/c1-9-15(22)16(23)17(24)19(26-9)27-18(25)10-5-4-8-13-14(10)21-12-7-3-2-6-11(12)20-13/h2-9,15-17,19,22-24H,1H3/t9-,15-,16+,17+,19+/m0/s1
InChIKeyCQFWUUXJZDGIDM-UXLIUCIESA-N
MW370.36 g/mol
LogP0.77
Rot. Bonds2

About [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate

[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate (PubChem CID 139585741) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate.

Molecular Properties

Compound Name[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate
PubChem CID139585741
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate
SMILESC[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H18N2O6/c1-9-15(22)16(23)17(24)19(26-9)27-18(25)10-5-4-8-13-14(10)21-12-7-3-2-6-11(12)20-13/h2-9,15-17,19,22-24H,1H3/t9-,15-,16+,17+,19+/m0/s1
InChIKeyCQFWUUXJZDGIDM-UXLIUCIESA-N
XLogP0.77
TPSA122.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate?
The IUPAC name of [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate (CID 139585741) is [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate.
What is the SMILES notation for [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate?
The canonical SMILES for [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate is C[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate?
The InChIKey is CQFWUUXJZDGIDM-UXLIUCIESA-N. The full InChI is InChI=1S/C19H18N2O6/c1-9-15(22)16(23)17(24)19(26-9)27-18(25)10-5-4-8-13-14(10)21-12-7-3-2-6-11(12)20-13/h2-9,15-17,19,22-24H,1H3/t9-,15-,16+,17+,19+/m0/s1.
What are the key properties of [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate?
[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phenazine-1-carboxylate is sourced from PubChem (CID 139585741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).