(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

C26H29NO10 — CID 10324211

IUPAC(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC[C@@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C26H29NO10/c1-3-26(35)8-15(30)10-6-11-17(24(34)20-14(29)5-4-13(28)19(20)22(11)32)23(33)18(10)25(26)37-16-7-12(27)21(31)9(2)36-16/h4-6,9,12,15-16,21,25,28-31,33,35H,3,7-8,27H2,1-2H3/t9-,12-,15-,16-,21+,25+,26+/m0/s1
InChIKeySLBQVAOYTLXPEJ-GQKZXETDSA-N
MW515.52 g/mol
LogP1.04
Rot. Bonds3

About (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (PubChem CID 10324211) has the molecular formula C26H29NO10 and a molecular weight of 515.52 g/mol. Its IUPAC name is (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.

Molecular Properties

Compound Name(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
PubChem CID10324211
Molecular FormulaC26H29NO10
Molecular Weight515.52 g/mol
Exact Mass515.18
IUPAC Name(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
SMILESCC[C@@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C26H29NO10/c1-3-26(35)8-15(30)10-6-11-17(24(34)20-14(29)5-4-13(28)19(20)22(11)32)23(33)18(10)25(26)37-16-7-12(27)21(31)9(2)36-16/h4-6,9,12,15-16,21,25,28-31,33,35H,3,7-8,27H2,1-2H3/t9-,12-,15-,16-,21+,25+,26+/m0/s1
InChIKeySLBQVAOYTLXPEJ-GQKZXETDSA-N
XLogP1.04
TPSA200.00 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500515.52
LogP ≤ 51.04
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 11755675
10-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 53463335
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 162845469
(7S,9R,10R)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 10051657
10-[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,7,9,11-hexahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 11757496
methyl (1R,2R)-4-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 177496457
(7S,9S)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 162973728
methyl (1R,2R)-4-[(2R,4R,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 177413969
methyl (1R,2R,4S)-4-[(2R,4S,5S,6R)-5-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 162951762
(7R,9S,10R)-7,10-bis[[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy]-9-ethyl-1,4,6,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 162883571
methyl (1S,2R,4S)-4-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6S)-5-[(2R,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
CID 44584032
(7S,9S)-7-[(2S,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
CID 25009242

Frequently Asked Questions

What is the IUPAC name of (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The IUPAC name of (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione (CID 10324211) is (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
What is the SMILES notation for (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The canonical SMILES for (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is CC[C@@]1(O)C[C@H](O)c2cc3c(c(O)c2[C@H]1O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)C(=O)c1c(O)ccc(O)c1C3=O.
What is the InChIKey of (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
The InChIKey is SLBQVAOYTLXPEJ-GQKZXETDSA-N. The full InChI is InChI=1S/C26H29NO10/c1-3-26(35)8-15(30)10-6-11-17(24(34)20-14(29)5-4-13(28)19(20)22(11)32)23(33)18(10)25(26)37-16-7-12(27)21(31)9(2)36-16/h4-6,9,12,15-16,21,25,28-31,33,35H,3,7-8,27H2,1-2H3/t9-,12-,15-,16-,21+,25+,26+/m0/s1.
What are the key properties of (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione?
(7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione has a molecular weight of 515.52 g/mol, XLogP of 1.04, 3 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9R,10R)-10-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-1,4,7,9,11-pentahydroxy-8,10-dihydro-7H-tetracene-5,12-dione is sourced from PubChem (CID 10324211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).