(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol

C17H15NO4 — CID 100980878

IUPAC(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol
SMILESO[C@@H]1c2c(cnc3c4c(ccc23)C=C[C@H](O)[C@@H]4O)C=C[C@@H]1O
InChIInChI=1S/C17H15NO4/c19-11-6-3-9-7-18-15-10(13(9)16(11)21)4-1-8-2-5-12(20)17(22)14(8)15/h1-7,11-12,16-17,19-22H/t11-,12-,16-,17-/m0/s1
InChIKeyNLTUSMSWAFNMJO-SYWGBEHUSA-N
MW297.31 g/mol
LogP1.08
Rot. Bonds

About (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol

(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol (PubChem CID 100980878) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol.

Molecular Properties

Compound Name(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol
PubChem CID100980878
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol
SMILESO[C@@H]1c2c(cnc3c4c(ccc23)C=C[C@H](O)[C@@H]4O)C=C[C@@H]1O
InChIInChI=1S/C17H15NO4/c19-11-6-3-9-7-18-15-10(13(9)16(11)21)4-1-8-2-5-12(20)17(22)14(8)15/h1-7,11-12,16-17,19-22H/t11-,12-,16-,17-/m0/s1
InChIKeyNLTUSMSWAFNMJO-SYWGBEHUSA-N
XLogP1.08
TPSA93.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol?
The IUPAC name of (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol (CID 100980878) is (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol.
What is the SMILES notation for (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol?
The canonical SMILES for (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol is O[C@@H]1c2c(cnc3c4c(ccc23)C=C[C@H](O)[C@@H]4O)C=C[C@@H]1O.
What is the InChIKey of (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol?
The InChIKey is NLTUSMSWAFNMJO-SYWGBEHUSA-N. The full InChI is InChI=1S/C17H15NO4/c19-11-6-3-9-7-18-15-10(13(9)16(11)21)4-1-8-2-5-12(20)17(22)14(8)15/h1-7,11-12,16-17,19-22H/t11-,12-,16-,17-/m0/s1.
What are the key properties of (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol?
(3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol has a molecular weight of 297.31 g/mol, XLogP of 1.08, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,9S,10R)-3,4,9,10-tetrahydrobenzo[c]phenanthridine-3,4,9,10-tetrol is sourced from PubChem (CID 100980878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).