2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol

C21H27NO5 — CID 130316142

IUPAC2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCC1OC(CNO)C(OCc2ccccc2)C(O)C1OCc1ccccc1
InChIInChI=1S/C21H27NO5/c1-15-20(25-13-16-8-4-2-5-9-16)19(23)21(18(27-15)12-22-24)26-14-17-10-6-3-7-11-17/h2-11,15,18-24H,12-14H2,1H3
InChIKeyRBFRQZKXYOARHG-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.28
Rot. Bonds8

About 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol

2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (PubChem CID 130316142) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
PubChem CID130316142
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESCC1OC(CNO)C(OCc2ccccc2)C(O)C1OCc1ccccc1
InChIInChI=1S/C21H27NO5/c1-15-20(25-13-16-8-4-2-5-9-16)19(23)21(18(27-15)12-22-24)26-14-17-10-6-3-7-11-17/h2-11,15,18-24H,12-14H2,1H3
InChIKeyRBFRQZKXYOARHG-UHFFFAOYSA-N
XLogP2.28
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,4S,6S)-4,6-dimethyl-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 126550257
N-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]acetamide
CID 155415771
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,4R,5S)-2,3-dimethyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 91212823
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(2R,3S,4R,6S)-2-methyl-3,6-bis(phenylmethoxy)oxan-4-ol
CID 14466621
(1R,3S,4S,5R,7R)-3-methyl-4,7-bis(phenylmethoxy)-2,6-dioxabicyclo[3.1.1]heptane
CID 134936663
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-ol
CID 71166590

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The IUPAC name of 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (CID 130316142) is 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.
What is the SMILES notation for 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The canonical SMILES for 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is CC1OC(CNO)C(OCc2ccccc2)C(O)C1OCc1ccccc1.
What is the InChIKey of 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The InChIKey is RBFRQZKXYOARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-15-20(25-13-16-8-4-2-5-9-16)19(23)21(18(27-15)12-22-24)26-14-17-10-6-3-7-11-17/h2-11,15,18-24H,12-14H2,1H3.
What are the key properties of 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol has a molecular weight of 373.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]-6-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is sourced from PubChem (CID 130316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).