(3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)

Catalog Number	ACM2370958373
CAS	2370958-37-3
Structure
Synonyms	(3aR,7aR)-2-[(2S,4S)-4-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]pentan-2-yl]oxy-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole
IUPAC Name	(3aR,7aR)-2-[(2S,4S)-4-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]pentan-2-yl]oxy-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole
Molecular Weight	692.81
Molecular Formula	C41H50N4O2P2
InChI	WRCZYHWWUWWAJL-WWTNERIWSA-N
InChI Key	InChI=1S/C41H50N4O2P2/c1-32(46-48-42(34-19-7-3-8-20-34)38-27-15-16-28-39(38)43(48)35-21-9-4-10-22-35)31-33(2)47-49-44(36-23-11-5-12-24-36)40-29-17-18-30-41(40)45(49)37-25-13-6-14-26-37/h3-14,19-26,32-33,38-41H,15-18,27-31H2,1-2H3/t32-,33-,38+,39+,40+,41+/m0/s1
Purity	98%
Isomeric SMILES	C[C@@H](C[C@H](C)OP1N([C@@H]2CCCC[C@H]2N1C3=CC=CC=C3)C4=CC=CC=C4)OP5N([C@@H]6CCCC[C@H]6N5C7=CC=CC=C7)C8=CC=CC=C8

Q&A

What is the molecular formula of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The molecular formula of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is C41H50N4O2P2.

What is the molecular weight of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The molecular weight of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is 692.8g/mol.

How many hydrogen bond acceptors does (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) have?

(3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) has 6 hydrogen bond acceptors.

How many defined atom stereocenters does (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) have?

(3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) has 6 defined atom stereocenters.

What is the XLogP3 value of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The XLogP3 value of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is 11.2.

What is the canonical SMILES representation of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The canonical SMILES representation of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is CC(CC(C)OP1N(C2CCCCC2N1C3=CC=CC=C3)C4=CC=CC=C4)OP5N(C6CCCCC6N5C7=CC=CC=C7)C8=CC=CC=C8.

What is the exact mass of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The exact mass of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is 692.34090085.

What is the InChI key of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The InChI key of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is WRCZYHWWUWWAJL-WWTNERIWSA-N.

What is the IUPAC name of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The IUPAC name of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is (3aR,7aR)-2-[(2S,4S)-4-[[(3aR,7aR)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]pentan-2-yl]oxy-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole.

What is the isomeric SMILES representation of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole)?

The isomeric SMILES representation of (3aR,3a'R,7aR,7a'R)-2,2'-(((2S,4S)-Pentane-2,4-diyl)bis(oxy))bis(1,3-diphenyloctahydro-1H-benzo[d][1,3,2]diazaphosphole) is C[C@@H](C[C@H](C)OP1N([C@@H]2CCCC[C@H]2N1C3=CC=CC=C3)C4=CC=CC=C4)OP5N([C@@H]6CCCC[C@H]6N5C7=CC=CC=C7)C8=CC=CC=C8.