InChI=1/C26H25O4.3C4H9.Sn/c1-4-10-21(11-5-1)18-28-24-16-17-27-26(30-20-23-14-8-3-9-15-23)25(24)29-19-22-12-6-2-7-13-22;3*1-3-4-2;/h1-16,24-26H,18-20H2;3*1,3-4H2,2H3;/t24-,25+,26-;;;;/m1..../s1/rC38H52O4Sn/c1-4-7-25-43(26-8-5-2,27-9-6-3)36-28-35(39-29-32-19-13-10-14-20-32)37(40-30-33-21-15-11-16-22-33)38(42-36)41-31-34-23-17-12-18-24-34/h10-24,28,35,37-38H,4-9,25-27,29-31H2,1-3H3/t35-,37+,38+/m1/s1

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Inherent Properties, Identifiers and References

ChemSpider ID:	23076230
Empirical Formula:	C38H52O4Sn
Molecular Weight:	691.53
Nominal Mass:	692 Da
Average Mass:	691.5271 Da
Monoisotopic Mass:	692.288759 Da

Systematic Name:

tributyl-[(2S,3S,4R)-2,3,4-tribenzyloxy-3,4-dihydro-2H-pyran-6-yl]stannane

SMILES:

CCCC[Sn](CCCC)(CCCC)C1=CC(C(C(O1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4

InChI:

InChI=1/C26H25O4.3C4H9.Sn/c1-4-10-21(11-5-1)18-28-24-16-17-27-26(30-20-23-14-8-3-9-15-23)25(24)29-19-22-12-6-2-7-13-22;3*1-3-4-2;/h1-16,24-26H,18-20H2;3*1,3-4H2,2H3;/t24-,25+,26-;;;;/m1..../s1/rC38H52O4Sn/c1-4-7-25-43(26-8-5-2,27-9-6-3)36-28-35(39-29-32-19-13-10-14-20-32)37(40-30-33-21-15-11-16-22-33)38(42-36)41-31-34-23-17-12-18-24-34/h10-24,28,35,37-38H,4-9,25-27,29-31H2,1-3H3/t35-,37+,38+/m1/s1

InChIKey:

CQQFZBKKQLVFKY-AWXLCLAPBG

Std. InChI:

InChI=1S/C26H25O4.3C4H9.Sn/c1-4-10-21(11-5-1)18-28-24-16-17-27-26(30-20-23-14-8-3-9-15-23)25(24)29-19-22-12-6-2-7-13-22;3*1-3-4-2;/h1-16,24-26H,18-20H2;3*1,3-4H2,2H3;/t24-,25+,26-;;;;/m1..../s1

Std. InChIKey:

CQQFZBKKQLVFKY-KKVWWOFRSA-N

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Supplemental Information

Links & References

Jarowicki Krzysztof, Kilner Colin, Kocienski Philip, Komsta Zofia, Milne Jacqueline, Wojtasiewicz Anna, Coombs Victoria. A Synthesis of 1-Lithiated Glycals and 1-Tributylstannyl Glycals from 1-Phenylsulfinyl Glycals via Sulfoxide-Lithium Ligand Exchange, Synthesis, 2008

[DOI: 10.1055/s-2008-1067226]

ACD/Labs Predicted Properties

ACD/LogP:	14.77	# of Rule of 5 Violations:	2
ACD/LogD (pH 5.5):	14.77	ACD/LogD (pH 7.4):	14.77
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	0
#Freely Rotating Bonds:	19	Polar Surface Area:	36.92 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	365.4 °C	Enthalpy of Vaporization:	96.26 kJ/mol
Boiling Point:	680.5 °C at 760 mmHg	Vapour Pressure:	1.32E-17 mmHg at 25°C

Spectra