1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

C27H29NO5 — CID 14409401

IUPAC1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)OC(/C=N/O)C(C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H29NO5/c1-26(2)32-24(18-28-30)25(33-26)23(29)19-31-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,23-25,29-30H,19H2,1-2H3/b28-18+
InChIKeyMXGRUCWKFAEEHP-MTDXEUNCSA-N
MW447.53 g/mol
LogP4.34
Rot. Bonds8

About 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol

1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (PubChem CID 14409401) has the molecular formula C27H29NO5 and a molecular weight of 447.53 g/mol. Its IUPAC name is 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.

Molecular Properties

Compound Name1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
PubChem CID14409401
Molecular FormulaC27H29NO5
Molecular Weight447.53 g/mol
Exact Mass447.20
IUPAC Name1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
SMILESCC1(C)OC(/C=N/O)C(C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C27H29NO5/c1-26(2)32-24(18-28-30)25(33-26)23(29)19-31-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,23-25,29-30H,19H2,1-2H3/b28-18+
InChIKeyMXGRUCWKFAEEHP-MTDXEUNCSA-N
XLogP4.34
TPSA80.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Methyl 5-O-trityl-alpha-l-arabinofuranoside
CID 22887292
Methyl 5-O-triphenylmethyl-alpha-D-arabinofuranoside
CID 11384221
(NE)-N-[2-[(2S)-1-trityloxybut-3-en-2-yl]oxyethylidene]hydroxylamine
CID 57827498
(2R,3R,4R,5E)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 118108761
(2R,3R,4S)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 118108763
benzyl [(1Z,2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 118147363
(2S,3R,4S)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 118336423
(2R)-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-fluoro-1-trityloxybut-3-en-2-ol
CID 126481507
(2R,3R,4R)-2-fluoro-4-hydroxy-3,5-bis(benzyloxy)pentanal O-methyloxime
CID 131734110
benzyl [(2R,3R,4R)-2-fluoro-4-hydroxy-1-methoxyimino-5-phenylmethoxycarbonyloxypentan-3-yl] carbonate
CID 141720193
(NE)-N-[[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methylidene]hydroxylamine
CID 10912415
(1R)-1-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol
CID 11112884

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The IUPAC name of 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol (CID 14409401) is 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol.
What is the SMILES notation for 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The canonical SMILES for 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is CC1(C)OC(/C=N/O)C(C(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
The InChIKey is MXGRUCWKFAEEHP-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H29NO5/c1-26(2)32-24(18-28-30)25(33-26)23(29)19-31-27(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18,23-25,29-30H,19H2,1-2H3/b28-18+.
What are the key properties of 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol?
1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol has a molecular weight of 447.53 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(E)-hydroxyiminomethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-trityloxyethanol is sourced from PubChem (CID 14409401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).