N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide

C18H33NO10 — CID 45266784

IUPACN-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide
SMILESCOC(C)C(=O)N[C@H]1[C@H](C)OC(O[C@@H]2[C@H](O)[C@H](C)OC(O)[C@H]2O)[C@H](OC)[C@]1(C)O
InChIInChI=1S/C18H33NO10/c1-7-10(20)12(11(21)16(23)27-7)29-17-14(26-6)18(4,24)13(8(2)28-17)19-15(22)9(3)25-5/h7-14,16-17,20-21,23-24H,1-6H3,(H,19,22)/t7-,8-,9?,10+,11-,12+,13-,14-,16?,17?,18+/m0/s1
InChIKeyWXRMULXJDGUOQT-JKNYYXRYSA-N
MW423.46 g/mol
LogP-2.14
Rot. Bonds6

About N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide

N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide (PubChem CID 45266784) has the molecular formula C18H33NO10 and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide
PubChem CID45266784
Molecular FormulaC18H33NO10
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC NameN-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide
SMILESCOC(C)C(=O)N[C@H]1[C@H](C)OC(O[C@@H]2[C@H](O)[C@H](C)OC(O)[C@H]2O)[C@H](OC)[C@]1(C)O
InChIInChI=1S/C18H33NO10/c1-7-10(20)12(11(21)16(23)27-7)29-17-14(26-6)18(4,24)13(8(2)28-17)19-15(22)9(3)25-5/h7-14,16-17,20-21,23-24H,1-6H3,(H,19,22)/t7-,8-,9?,10+,11-,12+,13-,14-,16?,17?,18+/m0/s1
InChIKeyWXRMULXJDGUOQT-JKNYYXRYSA-N
XLogP-2.14
TPSA156.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R,3R,4S,5R,6R)-2-[(2S,3R,4R,5S,6S)-2-[(2S,3S,4R,5R,6S)-3,5-dihydroxy-2-methyl-6-[(3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
CID 91846690
6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2,3,5-triol
CID 12903214
N-[(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-4-acetamido-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-4-methoxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-methyloxan-4-yl]acetamide
CID 91856217
(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91851139
N-[(2S,3S,4R,5R,6R)-4-hydroxy-5-iodo-6-methoxy-2,4-dimethyloxan-3-yl]acetamide
CID 11089173
(3R,4S,5S,6R)-4-methoxy-6-methyloxane-2,3,5-triol
CID 15558282
(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-4-[(2R,3S,4R,5R,6S)-5-amino-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91854013
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 91860873
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4R,5S,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]acetamide
CID 10384317
(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91856640
(3S,4S,5S)-3,4,5-trihydroxy-6-[(3S,4R)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxane-2-carboxylic acid
CID 163072589
[(2S,3S,4S,5S,6S)-4,5-dihydroxy-2-methyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl] hydrogen sulfate
CID 15604509

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide?
The IUPAC name of N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide (CID 45266784) is N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide.
What is the SMILES notation for N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide?
The canonical SMILES for N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide is COC(C)C(=O)N[C@H]1[C@H](C)OC(O[C@@H]2[C@H](O)[C@H](C)OC(O)[C@H]2O)[C@H](OC)[C@]1(C)O.
What is the InChIKey of N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide?
The InChIKey is WXRMULXJDGUOQT-JKNYYXRYSA-N. The full InChI is InChI=1S/C18H33NO10/c1-7-10(20)12(11(21)16(23)27-7)29-17-14(26-6)18(4,24)13(8(2)28-17)19-15(22)9(3)25-5/h7-14,16-17,20-21,23-24H,1-6H3,(H,19,22)/t7-,8-,9?,10+,11-,12+,13-,14-,16?,17?,18+/m0/s1.
What are the key properties of N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide?
N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide has a molecular weight of 423.46 g/mol, XLogP of -2.14, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,4R,5R)-4-hydroxy-5-methoxy-2,4-dimethyl-6-[(3S,4R,5R,6S)-2,3,5-trihydroxy-6-methyloxan-4-yl]oxyoxan-3-yl]-2-methoxypropanamide is sourced from PubChem (CID 45266784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).