N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide

C15H25NO10 — CID 101185162

IUPACN-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide
SMILESCO[C@@H]1O[C@@H]2CO[C@H]3[C@H](O[C@H]2[C@H](O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O
InChIInChI=1S/C15H25NO10/c1-5(18)16-8-10(20)12-7(25-14(8)22-2)4-23-13-11(21)9(19)6(3-17)24-15(13)26-12/h6-15,17,19-21H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1
InChIKeyCQDHWFWFVLBSAM-AEBMIEDASA-N
MW379.36 g/mol
LogP-3.55
Rot. Bonds3

About N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide

N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide (PubChem CID 101185162) has the molecular formula C15H25NO10 and a molecular weight of 379.36 g/mol. Its IUPAC name is N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide
PubChem CID101185162
Molecular FormulaC15H25NO10
Molecular Weight379.36 g/mol
Exact Mass379.15
IUPAC NameN-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide
SMILESCO[C@@H]1O[C@@H]2CO[C@H]3[C@H](O[C@H]2[C@H](O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O
InChIInChI=1S/C15H25NO10/c1-5(18)16-8-10(20)12-7(25-14(8)22-2)4-23-13-11(21)9(19)6(3-17)24-15(13)26-12/h6-15,17,19-21H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1
InChIKeyCQDHWFWFVLBSAM-AEBMIEDASA-N
XLogP-3.55
TPSA156.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 5-3.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide with MolForge

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Related Compounds

N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(1R,3S,5R,6R,7S,8S,14R,16R,17R,18R)-6,7-dihydroxy-5-(hydroxymethyl)-16-methoxy-11-oxo-18-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,4,9,15-tetraoxa-12-azatricyclo[12.4.0.03,8]octadecan-17-yl]acetamide
CID 23230797
N-[(2R,4R,5S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 84973162
N-[(1R,3S,5R,6S,7S,8S,10R,12R,13S,14S,15S,17S,18S,19S,20S,21R,24S,26R,27S,28R)-6,7,13,14,18,19,20,27-octahydroxy-5,12-bis(hydroxymethyl)-26-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,9,11,16,23,25,29-octaoxapentacyclo[22.3.1.117,21.03,8.010,15]nonacosan-28-yl]acetamide
CID 156615688
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32R,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-31,33,34,35,36,37,38,39,40,41,42-undecahydroxy-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-32-yl]oxy]oxan-3-yl]acetamide
CID 100962478
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47S,48R,49R,50R,51R,52R,53R,54R,55R,56R)-41,42,43,44,45,46,47,49,50,51,52,53,54,55,56-pentadecahydroxy-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontan-48-yl]oxy]oxan-3-yl]acetamide
CID 100962481
N-[(2R,3S,4R,5R,6R)-2-[[(2R,3S,4R,5S,6S)-5-acetamido-3,4-dihydroxy-6-methoxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 67879085
N-[5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 3660162
N-[(2S,4aR,6S,7R,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11174707
N-[(6R,7S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 45039740

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide?
The IUPAC name of N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide (CID 101185162) is N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide.
What is the SMILES notation for N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide?
The canonical SMILES for N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide is CO[C@@H]1O[C@@H]2CO[C@H]3[C@H](O[C@H]2[C@H](O)[C@H]1NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]3O.
What is the InChIKey of N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide?
The InChIKey is CQDHWFWFVLBSAM-AEBMIEDASA-N. The full InChI is InChI=1S/C15H25NO10/c1-5(18)16-8-10(20)12-7(25-14(8)22-2)4-23-13-11(21)9(19)6(3-17)24-15(13)26-12/h6-15,17,19-21H,3-4H2,1-2H3,(H,16,18)/t6-,7-,8-,9+,10-,11+,12-,13-,14-,15+/m1/s1.
What are the key properties of N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide?
N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide has a molecular weight of 379.36 g/mol, XLogP of -3.55, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,5R,6R,7S,8R,11R,13R,14R,15R)-6,7,15-trihydroxy-5-(hydroxymethyl)-13-methoxy-2,4,9,12-tetraoxatricyclo[9.4.0.03,8]pentadecan-14-yl]acetamide is sourced from PubChem (CID 101185162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).