(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol

C21H41NO4 — CID 67068127

IUPAC(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
SMILESC[C@@H]1CC(N(C)C)C(O)C(OC2CCCCCCCC(O)CCCC2)O1
InChIInChI=1S/C21H41NO4/c1-16-15-19(22(2)3)20(24)21(25-16)26-18-13-8-6-4-5-7-11-17(23)12-9-10-14-18/h16-21,23-24H,4-15H2,1-3H3/t16-,17?,18?,19?,20?,21?/m1/s1
InChIKeyADQGIVUPGKPANA-HVZSQQFQSA-N
MW371.56 g/mol
LogP3.46
Rot. Bonds3

About (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol

(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol (PubChem CID 67068127) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol.

Molecular Properties

Compound Name(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
PubChem CID67068127
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC Name(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol
SMILESC[C@@H]1CC(N(C)C)C(O)C(OC2CCCCCCCC(O)CCCC2)O1
InChIInChI=1S/C21H41NO4/c1-16-15-19(22(2)3)20(24)21(25-16)26-18-13-8-6-4-5-7-11-17(23)12-9-10-14-18/h16-21,23-24H,4-15H2,1-3H3/t16-,17?,18?,19?,20?,21?/m1/s1
InChIKeyADQGIVUPGKPANA-HVZSQQFQSA-N
XLogP3.46
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-2,4,5,16-tetrone
CID 142203880
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(2R,3S,6R)-4-(dimethylamino)-6-methyloxane-2,3-diol
CID 89217462
(2R,3R,4S,6R)-4-(dimethylamino)-2-(3-hydroxypent-4-ynoxy)-6-methyloxan-3-ol
CID 86668339
(3R,4S,5S,6S,7S,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-3,5,7,11,13-pentamethyl-oxacyclotetradecane-2,10-dione
CID 59986234
[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
4-(dimethylamino)-6-methyl-2-pyren-1-yloxyoxan-3-ol
CID 86668318
(3S,5R,6S,7R,8R,9R,12S,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
CID 125035142
(3S,5R,6S,7S,8R,9R,12S,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8,14-dihydroxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione
CID 125035139
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
(4S,6R,7S,9R,12R,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-4,12-dihydroxy-7,9,13-trimethyl-oxacyclotetradecane-2,10-dione
CID 59986237
4-(dimethylamino)-6-methyl-2-(2-methylbutan-2-yl)oxan-3-ol
CID 167098136

Frequently Asked Questions

What is the IUPAC name of (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol?
The IUPAC name of (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol (CID 67068127) is (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol.
What is the SMILES notation for (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol?
The canonical SMILES for (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol is C[C@@H]1CC(N(C)C)C(O)C(OC2CCCCCCCC(O)CCCC2)O1.
What is the InChIKey of (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol?
The InChIKey is ADQGIVUPGKPANA-HVZSQQFQSA-N. The full InChI is InChI=1S/C21H41NO4/c1-16-15-19(22(2)3)20(24)21(25-16)26-18-13-8-6-4-5-7-11-17(23)12-9-10-14-18/h16-21,23-24H,4-15H2,1-3H3/t16-,17?,18?,19?,20?,21?/m1/s1.
What are the key properties of (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol?
(6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol has a molecular weight of 371.56 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(dimethylamino)-2-(6-hydroxycyclotridecyl)oxy-6-methyloxan-3-ol is sourced from PubChem (CID 67068127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).