(-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]

Catalog Number	ACM852042070
CAS	852042-07-0
Structure
Synonyms	(S,S)-Chiraphite
IUPAC Name	4,8-ditert-butyl-6-[(2S,4S)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
Molecular Weight	876.99
Molecular Formula	C49H66O10P2
InChI	XMUZNZWRMNWOHX-VMPREFPWSA-N
InChI Key	InChI=1S/C49H66O10P2/c1-28(54-60-56-42-34(20-30(50-15)24-38(42)46(3,4)5)35-21-31(51-16)25-39(43(35)57-60)47(6,7)8)19-29(2)55-61-58-44-36(22-32(52-17)26-40(44)48(9,10)11)37-23-33(53-18)27-41(45(37)59-61)49(12,13)14/h20-29H,19H2,1-18H3/t28-,29-/m0/s1
Boiling Point	816.6±65.0 °C(Predicted)
Appearance	Solid
Isomeric SMILES	C[C@@H](C[C@H](C)OP1OC2=C(C=C(C=C2C(C)(C)C)OC)C3=C(O1)C(=CC(=C3)OC)C(C)(C)C)OP4OC5=C(C=C(C=C5C(C)(C)C)OC)C6=C(O4)C(=CC(=C6)OC)C(C)(C)C

Q&A

What is the Canonical SMILES for (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

CC(CC(C)OP1OC2=C(C=C(C=C2C(C)(C)C)OC)C3=C(O1)C(=CC(=C3)OC)C(C)(C)C)OP4OC5=C(C=C(C=C5C(C)(C)C)OC)C6=C(O4)C(=CC(=C6)OC)C(C)(C)C

What is the Molecular Formula of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

C49H66O10P2

What is the Molecular Weight of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

877.0g/mol

What is the Monoisotopic Mass of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

876.41312229

What is the InChI key for (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

XMUZNZWRMNWOHX-VMPREFPWSA-N

What is the IUPAC Name of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

4,8-ditert-butyl-6-[(2S,4S)-4-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxypentan-2-yl]oxy-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine

How many Heavy Atoms are present in (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

61

What is the XLogP3 value of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

14.4

What is the Complexity of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

1200

What is the Isomeric SMILES of (-)-6,6'-{[(1S,3S)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)}bis[4,8-bis(t-butyl)-2,10-dimethoxy-bibenzo[d,f][1,3,2]dioxaphosphepin]?

C[C@@H](C[C@H](C)OP1OC2=C(C=C(C=C2C(C)(C)C)OC)C3=C(O1)C(=CC(=C3)OC)C(C)(C)C)OP4OC5=C(C=C(C=C5C(C)(C)C)OC)C6=C(O4)C(=CC(=C6)OC)C(C)(C)C