Boc-thr(ile-fmoc)-oh

CAS

944283-27-6

Catalog Number

ACM944283276

Category

Other Products

Molecular Weight

554.64

Molecular Formula

C₃₀H₃₈N₂O₈

MSDS COA Spec Sheet

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Specification

Synonyms

BOC-THR(FMOC-ILE)-OH; BOC-L-THR(FMOC-L-ILE)-OH BOC-L-THR(FMOC-L-ILE)-OH; BOC-THR(ILE-FMOC)-OH; Boc-L-Thr(Fmoc-L-Ile)-OH;

IUPAC Name

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-[N-[(9H-fluoren-9-ylme...

Boiling Point

735.8±60.0 °C (760 mmHg)

Density

1.211±0.06 g/cm³ (20 °C, 760 mmHg)

Exact Mass

554.26300

What is the molecular formula of Boc-thr(ile-fmoc)-oh?

The molecular formula of Boc-thr(ile-fmoc)-oh is C30H38N2O8.

When was Boc-thr(ile-fmoc)-oh created and last modified?

Boc-thr(ile-fmoc)-oh was created on August 13, 2007, and last modified on December 30, 2023.

What is the molecular weight of Boc-thr(ile-fmoc)-oh?

The molecular weight of Boc-thr(ile-fmoc)-oh is 554.6 g/mol.

What is the IUPAC name of Boc-thr(ile-fmoc)-oh?

The IUPAC name of Boc-thr(ile-fmoc)-oh is (2S,3R)-3-[(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

What is the InChI of Boc-thr(ile-fmoc)-oh?

The InChI of Boc-thr(ile-fmoc)-oh is InChI=1S/C30H38N2O8/c1-7-17(2)24(27(35)39-18(3)25(26(33)34)32-29(37)40-30(4,5)6)31-28(36)38-16-23-21-14-10-8-12-19(21)20-13-9-11-15-22(20)23/h8-15,17-18,23-25H,7,16H2,1-6H3,(H,31,36)(H,32,37)(H,33,34)/t17-,18+,24-,25-/m0/s1.

What is the InChIKey of Boc-thr(ile-fmoc)-oh?

The InChIKey of Boc-thr(ile-fmoc)-oh is DVXQNNYVNXVLDP-MSFWWKAZSA-N.

What is the Canonical SMILES of Boc-thr(ile-fmoc)-oh?

The Canonical SMILES of Boc-thr(ile-fmoc)-oh is CCC(C)C(C(=O)OC(C)C(C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.

What is the XLogP3-AA value of Boc-thr(ile-fmoc)-oh?

The XLogP3-AA value of Boc-thr(ile-fmoc)-oh is 5.5.

How many hydrogen bond donor counts are there in Boc-thr(ile-fmoc)-oh?

There are 3 hydrogen bond donor counts in Boc-thr(ile-fmoc)-oh.

How many rotatable bond counts are there in Boc-thr(ile-fmoc)-oh?

There are 14 rotatable bond counts in Boc-thr(ile-fmoc)-oh.

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