(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione

C24H45N3O7 — CID 153311374

IUPAC(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione
SMILESC[C@H]1CN(C)C(=O)CNC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C1
InChIInChI=1S/C24H45N3O7/c1-13-10-24(5,32)21(34-23-20(30)17(26(6)7)9-14(2)33-23)15(3)19(29)16(4)22(31)25-11-18(28)27(8)12-13/h13-17,19-21,23,29-30,32H,9-12H2,1-8H3,(H,25,31)/t13-,14-,15+,16-,17+,19+,20-,21-,23+,24-/m1/s1
InChIKeyVRODRPBHLSLZLK-FNCUTBLWSA-N
MW487.64 g/mol
LogP-0.20
Rot. Bonds3

About (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione

(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione (PubChem CID 153311374) has the molecular formula C24H45N3O7 and a molecular weight of 487.64 g/mol. Its IUPAC name is (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione.

Molecular Properties

Compound Name(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione
PubChem CID153311374
Molecular FormulaC24H45N3O7
Molecular Weight487.64 g/mol
Exact Mass487.33
IUPAC Name(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione
SMILESC[C@H]1CN(C)C(=O)CNC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C1
InChIInChI=1S/C24H45N3O7/c1-13-10-24(5,32)21(34-23-20(30)17(26(6)7)9-14(2)33-23)15(3)19(29)16(4)22(31)25-11-18(28)27(8)12-13/h13-17,19-21,23,29-30,32H,9-12H2,1-8H3,(H,25,31)/t13-,14-,15+,16-,17+,19+,20-,21-,23+,24-/m1/s1
InChIKeyVRODRPBHLSLZLK-FNCUTBLWSA-N
XLogP-0.20
TPSA131.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione with MolForge

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Related Compounds

(4R,7R,8S,9S,10R,11R,13R)-4-[(3-chlorophenyl)methyl]-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,11-dihydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311325
N-[4-[(2S,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,12-dihydroxy-5,7,9,11,13-pentamethyl-4,14-dioxo-1,5-diazacyclotetradec-2-yl]butyl]prop-2-enamide
CID 156561022
(7R,8S,9S,10R,11R,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-[(2R,4R,6S)-5-[(dimethylamino)methyl]-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-hydroxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 156560850
11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 175690854
(3S,4S,5S,8R,10S,11R,13S)-11-[(3R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 117065597
(1R,2R,10R,13R,14R)-13-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-2,8,10,12,14-pentamethyl-4,8-diazabicyclo[10.2.1]pentadecane-3,7-dione
CID 156561136
(7R,8S,9S,10R,11R,13R)-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-10-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propyl)amino]oxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311417
(2S,3R,4R,10S,11S,13R)-6-(3-aminopropyl)-11-[(2S,3S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 70858366
(4R,7R,8S,9S,10R,11R,13R)-4-[(4-bromophenyl)methyl]-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-11-hydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,7,9,11,13-pentamethyl-1,5-diazacyclotetradecane-2,6-dione
CID 153311364
(2S)-2-amino-N-[4-[(2S,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-9,12-dihydroxy-5,7,9,11,13-pentamethyl-4,14-dioxo-1,5-diazacyclotetradec-2-yl]butyl]-3-(1H-indol-3-yl)propanamide
CID 153311302
cis-(3R,11S)-11-[(2S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 70858376
(2R,3S,4R,5R,8R,11R,12S,13S,14R)-11-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10,13-tetrahydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
CID 90836055

Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione?
The IUPAC name of (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione (CID 153311374) is (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione.
What is the SMILES notation for (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione?
The canonical SMILES for (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione is C[C@H]1CN(C)C(=O)CNC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C1.
What is the InChIKey of (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione?
The InChIKey is VRODRPBHLSLZLK-FNCUTBLWSA-N. The full InChI is InChI=1S/C24H45N3O7/c1-13-10-24(5,32)21(34-23-20(30)17(26(6)7)9-14(2)33-23)15(3)19(29)16(4)22(31)25-11-18(28)27(8)12-13/h13-17,19-21,23,29-30,32H,9-12H2,1-8H3,(H,25,31)/t13-,14-,15+,16-,17+,19+,20-,21-,23+,24-/m1/s1.
What are the key properties of (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione?
(6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione has a molecular weight of 487.64 g/mol, XLogP of -0.20, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S,9R,10R,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,10-dihydroxy-1,6,8,10,12-pentamethyl-1,4-diazacyclotridecane-2,5-dione is sourced from PubChem (CID 153311374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).