(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane

C18H40O6P2S2 — CID 101252455

IUPAC(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
SMILES[2H][C@](CC)(SS[C@]([2H])(CC)P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H40O6P2S2/c1-11-17(25(19,21-13(3)4)22-14(5)6)27-28-18(12-2)26(20,23-15(7)8)24-16(9)10/h13-18H,11-12H2,1-10H3/t17-,18-/m1/s1/i17D,18D
InChIKeyVQQVDBBWSNKEEN-UAUYUMFTSA-N
MW480.61 g/mol
LogP7.93
Rot. Bonds15

About (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane

(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane (PubChem CID 101252455) has the molecular formula C18H40O6P2S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane.

Molecular Properties

Compound Name(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
PubChem CID101252455
Molecular FormulaC18H40O6P2S2
Molecular Weight480.61 g/mol
Exact Mass480.19
IUPAC Name(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane
SMILES[2H][C@](CC)(SS[C@]([2H])(CC)P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C18H40O6P2S2/c1-11-17(25(19,21-13(3)4)22-14(5)6)27-28-18(12-2)26(20,23-15(7)8)24-16(9)10/h13-18H,11-12H2,1-10H3/t17-,18-/m1/s1/i17D,18D
InChIKeyVQQVDBBWSNKEEN-UAUYUMFTSA-N
XLogP7.93
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane with MolForge

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Related Compounds

(1R)-1-di(propan-2-yloxy)phosphoryl-1-methylsulfanylpropane
CID 101252450
2-[[[[di(propan-2-yloxy)phosphoryl-ethylsulfanylmethyl]disulfanyl]-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10325067
2-[[(ethyldisulfanyl)-ethylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 10088168
2-[[di(propan-2-yloxy)phosphoryl-methylsulfanylmethyl]-propan-2-yloxyphosphoryl]oxypropane
CID 15373881
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
butan-2-yl dipropan-2-yl phosphate
CID 71379379
2-bromo-2-di(propan-2-yloxy)phosphorylacetaldehyde
CID 3760305
ethyl 2-di(propan-2-yloxy)phosphoryl-2-fluoroacetate
CID 11207945
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
2-diethoxyphosphorylbutane
CID 2733649
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793

Frequently Asked Questions

What is the IUPAC name of (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane?
The IUPAC name of (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane (CID 101252455) is (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane.
What is the SMILES notation for (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane?
The canonical SMILES for (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane is [2H][C@](CC)(SS[C@]([2H])(CC)P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane?
The InChIKey is VQQVDBBWSNKEEN-UAUYUMFTSA-N. The full InChI is InChI=1S/C18H40O6P2S2/c1-11-17(25(19,21-13(3)4)22-14(5)6)27-28-18(12-2)26(20,23-15(7)8)24-16(9)10/h13-18H,11-12H2,1-10H3/t17-,18-/m1/s1/i17D,18D.
What are the key properties of (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane?
(1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane has a molecular weight of 480.61 g/mol, XLogP of 7.93, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-deuterio-1-[[(1R)-1-deuterio-1-di(propan-2-yloxy)phosphorylpropyl]disulfanyl]-1-di(propan-2-yloxy)phosphorylpropane is sourced from PubChem (CID 101252455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).