(SA,S)-DTB-Ph-SIPHOX

Catalog Number	ACM1040274121
CAS	1040274-12-1
Synonyms	Bis(3,5-ditert-butylphenyl)-[(3S)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
IUPAC Name	bis(3,5-ditert-butylphenyl)-[(3S)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane
Molecular Weight	774.09
Molecular Formula	C54H64NOP
InChI	JIDAICRIWADNJH-JWRVDXLXSA-N
InChI Key	InChI=1S/C54H64NOP/c1-50(2,3)38-28-39(51(4,5)6)31-42(30-38)57(43-32-40(52(7,8)9)29-41(33-43)53(10,11)12)46-23-17-21-37-25-27-54(48(37)46)26-24-36-20-16-22-44(47(36)54)49-55-45(34-56-49)35-18-14-13-15-19-35/h13-23,28-33,45H,24-27,34H2,1-12H3/t45-,54+/m1/s1
Purity	98%
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)C6=N[C@H](CO6)C7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C(C)(C)C

Q&A

What is the name of (SA,S)-DTB-Ph-SIPHOX (SA,S)-DTB-Ph-SIPHOX also known as?

The compound (SA,S)-DTB-Ph-SIPHOX is also known as "bis(3,5-ditert-butylphenyl)-[(3S)-4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]phosphane".

What is the molecular formula of (SA,S)-DTB-Ph-SIPHOX?

The molecular formula of (SA,S)-DTB-Ph-SIPHOX is C54H64NOP.

What is the molecular weight of (SA,S)-DTB-Ph-SIPHOX?

The molecular weight of (SA,S)-DTB-Ph-SIPHOX is 774.1g/mol.

What is the canonical SMILES representation of (SA,S)-DTB-Ph-SIPHOX?

The canonical SMILES representation of (SA,S)-DTB-Ph-SIPHOX is
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2C4(CCC5=C4C(=CC=C5)C6=NC(CO6)C7=CC=CC=C7)CC3)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C(C)(C)C.

How many hydrogen bond acceptors are there in (SA,S)-DTB-Ph-SIPHOX?

There are 2 hydrogen bond acceptors in (SA,S)-DTB-Ph-SIPHOX.

How many rotatable bonds are there in (SA,S)-DTB-Ph-SIPHOX?

There are 9 rotatable bonds in (SA,S)-DTB-Ph-SIPHOX.

What is the XLogP3 value of (SA,S)-DTB-Ph-SIPHOX?

The XLogP3 value of (SA,S)-DTB-Ph-SIPHOX is 15.4.

What is the ChEBI ID of (SA,S)-DTB-Ph-SIPHOX?

The ChEBI ID of (SA,S)-DTB-Ph-SIPHOX is CHEBI:143667.

What is the CAS registry number of (SA,S)-DTB-Ph-SIPHOX?

The CAS registry number of (SA,S)-DTB-Ph-SIPHOX is 1040274-12-1.

What is the InChIKey of (SA,S)-DTB-Ph-SIPHOX?

The InChIKey of (SA,S)-DTB-Ph-SIPHOX is JIDAICRIWADNJH-JWRVDXLXSA-N.