L-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-,dimethyl phosphate(ester)(9ci)

CAS

92264-99-8

Catalog Number

ACM92264998

Category

Other Products

Molecular Weight

389.34

Molecular Formula

C₁₆H₂₄NO₈P

MSDS COA Spec Sheet

If you have any other questions or need other size, please get a quote.

Specification

Synonyms

Boc-Tyr(PO3Me2)-OH, 92264-99-8, 00083_FLUKA, MolPort-003-925-030, KM3087, N|A-Boc-O-(dimethylphospho)-L-tyrosine, Nalpha-Boc-O-(dimethylphospho)-L-tyrosine

IUPAC Name

(2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Canonical SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OP(=O)(OC)OC)C(=O)O

InChI Key

SPVKDJVZEGSJSS-ZDUSSCGKSA-N

Boiling Point

505.4ºC at 760 mmHg

Flash Point

259.4ºC

Density

1.272g/cm³

Exact Mass

389.12400

H-Bond Acceptor

H-Bond Donor

WGK Germany

What is the molecular formula of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The molecular formula is C16H24NO8P.

What are the synonyms of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The synonyms include Boc-Tyr(PO3Me2)-OH, 92264-99-8, Boc-O-dimethylphospho-L-tyrosine, (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, and (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-((dimethoxyphosphoryl)oxy)phenyl)propanoic acid.

What is the molecular weight of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The molecular weight is 389.34 g/mol.

What is the IUPAC name of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The IUPAC name is (2S)-3-(4-dimethoxyphosphoryloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is the InChI of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The InChI is InChI=1S/C16H24NO8P/c1-16(2,3)24-15(20)17-13(14(18)19)10-11-6-8-12(9-7-11)25-26(21,22-4)23-5/h6-9,13H,10H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1.

What is the InChIKey of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The InChIKey is SPVKDJVZEGSJSS-ZDUSSCGKSA-N.

What is the canonical SMILES of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The canonical SMILES is CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OP(=O)(OC)OC)C(=O)O.

What is the XLogP3-AA value of L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci)?

The XLogP3-AA value is 1.9.

How many hydrogen bond donor counts does L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci) have?

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci) has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci) have?

L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, dimethyl phosphate (ester)(9ci) has 8 hydrogen bond acceptor counts.