N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide

C29H33NO6 — CID 171123946

IUPACN-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide
SMILESCOC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(O)C(NC(C)=O)C1OC
InChIInChI=1S/C29H33NO6/c1-20(31)30-25-27(34-3)26(33-2)24(36-28(25)32)19-35-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-28,32H,19H2,1-3H3,(H,30,31)
InChIKeyMGOWUBWMNWQVKS-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.25
Rot. Bonds9

About N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide

N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide (PubChem CID 171123946) has the molecular formula C29H33NO6 and a molecular weight of 491.58 g/mol. Its IUPAC name is N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide
PubChem CID171123946
Molecular FormulaC29H33NO6
Molecular Weight491.58 g/mol
Exact Mass491.23
IUPAC NameN-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide
SMILESCOC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(O)C(NC(C)=O)C1OC
InChIInChI=1S/C29H33NO6/c1-20(31)30-25-27(34-3)26(33-2)24(36-28(25)32)19-35-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-28,32H,19H2,1-3H3,(H,30,31)
InChIKeyMGOWUBWMNWQVKS-UHFFFAOYSA-N
XLogP3.25
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[(2S,3R,4S,5S,6S)-3-acetamido-2,5-dihydroxy-6-(trityloxymethyl)oxan-4-yl] acetate
CID 171126482
[(3R,6R)-4,5-diacetyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171123435
[(2R,3R,4S,5R)-6-hydroxy-4,5-di(propanoyloxy)-2-(trityloxymethyl)oxan-3-yl] propanoate
CID 146628802
[(2S,3R,4R,5R,6S)-4,5,6-trimethoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11945275
[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-[(Z)-prop-1-enoxy]-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11456057
N-[(2R,3S,4R,5R,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 124526322
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
N-[(2S,3S,4R,5R)-6-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4,5-dihydroxy-2-phenylmethoxyoxan-3-yl]acetamide
CID 57370145
[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 92853375
[(2R,3S,4R,5S,6S)-4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 171395870
[(2S,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 171124517
[(2R,3R,4S,5R)-4,5-dibenzoyloxy-6-hydroxy-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 101007774

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide (CID 171123946) is N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide is COC1C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)OC(O)C(NC(C)=O)C1OC.
What is the InChIKey of N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide?
The InChIKey is MGOWUBWMNWQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO6/c1-20(31)30-25-27(34-3)26(33-2)24(36-28(25)32)19-35-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24-28,32H,19H2,1-3H3,(H,30,31).
What are the key properties of N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide?
N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide has a molecular weight of 491.58 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4,5-dimethoxy-6-(trityloxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 171123946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).