N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide

C30H35NO7 — CID 90113505

IUPACN-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
SMILESCO[C@H]1O[C@H](C(O)NC(C)=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H35NO7/c1-21(32)31-29(33)27-25(35-18-22-12-6-3-7-13-22)26(36-19-23-14-8-4-9-15-23)28(30(34-2)38-27)37-20-24-16-10-5-11-17-24/h3-17,25-30,33H,18-20H2,1-2H3,(H,31,32)/t25-,26+,27+,28-,29?,30+/m1/s1
InChIKeyMVSXNBHUHYPGMB-HZCIEBHLSA-N
MW521.61 g/mol
LogP3.57
Rot. Bonds12

About N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide

N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide (PubChem CID 90113505) has the molecular formula C30H35NO7 and a molecular weight of 521.61 g/mol. Its IUPAC name is N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
PubChem CID90113505
Molecular FormulaC30H35NO7
Molecular Weight521.61 g/mol
Exact Mass521.24
IUPAC NameN-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
SMILESCO[C@H]1O[C@H](C(O)NC(C)=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H35NO7/c1-21(32)31-29(33)27-25(35-18-22-12-6-3-7-13-22)26(36-19-23-14-8-4-9-15-23)28(30(34-2)38-27)37-20-24-16-10-5-11-17-24/h3-17,25-30,33H,18-20H2,1-2H3,(H,31,32)/t25-,26+,27+,28-,29?,30+/m1/s1
InChIKeyMVSXNBHUHYPGMB-HZCIEBHLSA-N
XLogP3.57
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.61
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 123779801
1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]prop-2-yn-1-ol
CID 132597133
N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetamide
CID 90113504
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
benzyl (2S,3R,4R,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 171395752
2-methoxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone
CID 71619662
[(2S,3R,4R,5S,6S)-6-methoxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 10434489
[2-acetyloxy-3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]pent-4-enyl] acetate
CID 23244417
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
CID 100978536
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862

Frequently Asked Questions

What is the IUPAC name of N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The IUPAC name of N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide (CID 90113505) is N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The canonical SMILES for N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide is CO[C@H]1O[C@H](C(O)NC(C)=O)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
The InChIKey is MVSXNBHUHYPGMB-HZCIEBHLSA-N. The full InChI is InChI=1S/C30H35NO7/c1-21(32)31-29(33)27-25(35-18-22-12-6-3-7-13-22)26(36-19-23-14-8-4-9-15-23)28(30(34-2)38-27)37-20-24-16-10-5-11-17-24/h3-17,25-30,33H,18-20H2,1-2H3,(H,31,32)/t25-,26+,27+,28-,29?,30+/m1/s1.
What are the key properties of N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide?
N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide has a molecular weight of 521.61 g/mol, XLogP of 3.57, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[hydroxy-[(2S,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 90113505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).