CID 59905781

C15H27B2O6PS — CID 59905781

IUPAC—
SMILES[B][C@@H]1O[C@H](COP(C)(=S)OC2C(C)[C@H]([B])O[C@@H]2COC)C(OC)C1C
InChIInChI=1S/C15H27B2O6PS/c1-8-12(19-4)11(22-14(8)16)7-20-24(5,25)23-13-9(2)15(17)21-10(13)6-18-3/h8-15H,6-7H2,1-5H3/t8?,9?,10-,11-,12?,13?,14-,15-,24?/m1/s1
InChIKeyIQZYSSJRAIESFW-GUGULJKSSA-N
MW388.04 g/mol
LogP1.05
Rot. Bonds8

About CID 59905781

CID 59905781 (PubChem CID 59905781) has the molecular formula C15H27B2O6PS and a molecular weight of 388.04 g/mol.

Molecular Properties

Compound NameCID 59905781
PubChem CID59905781
Molecular FormulaC15H27B2O6PS
Molecular Weight388.04 g/mol
Exact Mass388.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP(C)(=S)OC2C(C)[C@H]([B])O[C@@H]2COC)C(OC)C1C
InChIInChI=1S/C15H27B2O6PS/c1-8-12(19-4)11(22-14(8)16)7-20-24(5,25)23-13-9(2)15(17)21-10(13)6-18-3/h8-15H,6-7H2,1-5H3/t8?,9?,10-,11-,12?,13?,14-,15-,24?/m1/s1
InChIKeyIQZYSSJRAIESFW-GUGULJKSSA-N
XLogP1.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.04
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4S,5S)-3-[[(2R,3S,4S,5S)-3-methoxy-4,5-dimethyloxolan-2-yl]methoxy-methylphosphinothioyl]oxy-4,5-dimethyloxolan-2-yl]methanol
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(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-[2-(methoxymethyl)-4,5-dimethyloxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane;3-[(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-methylphosphoryl]oxy-2-(methoxymethyl)-4,5-dimethyloxolane
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CID 21348493
CID 21348493
CID 164706434
CID 164706434
CID 88945224
CID 88945224
CID 154006888
CID 154006888
CID 159489647
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(3R,5S,6S)-3-methoxy-2-(methoxymethyl)-4,5,6-trimethyloxane
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CID 59911974
CID 59911974

Frequently Asked Questions

What is the IUPAC name of CID 59905781?
The IUPAC name of CID 59905781 (CID 59905781) is not available.
What is the SMILES notation for CID 59905781?
The canonical SMILES for CID 59905781 is [B][C@@H]1O[C@H](COP(C)(=S)OC2C(C)[C@H]([B])O[C@@H]2COC)C(OC)C1C.
What is the InChIKey of CID 59905781?
The InChIKey is IQZYSSJRAIESFW-GUGULJKSSA-N. The full InChI is InChI=1S/C15H27B2O6PS/c1-8-12(19-4)11(22-14(8)16)7-20-24(5,25)23-13-9(2)15(17)21-10(13)6-18-3/h8-15H,6-7H2,1-5H3/t8?,9?,10-,11-,12?,13?,14-,15-,24?/m1/s1.
What are the key properties of CID 59905781?
CID 59905781 has a molecular weight of 388.04 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59905781 is sourced from PubChem (CID 59905781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).