[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate

C14H28NO8P — CID 141337783

IUPAC[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCP(=O)(COC(=O)OC(C)C)CO[C@H](C)CN
InChIInChI=1S/C14H28NO8P/c1-10(2)22-13(16)20-8-24(18,7-19-12(5)6-15)9-21-14(17)23-11(3)4/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1
InChIKeyLFSISVMDHRQJKC-GFCCVEGCSA-N
MW369.35 g/mol
LogP2.71
Rot. Bonds10

About [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate

[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate (PubChem CID 141337783) has the molecular formula C14H28NO8P and a molecular weight of 369.35 g/mol. Its IUPAC name is [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate.

Molecular Properties

Compound Name[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate
PubChem CID141337783
Molecular FormulaC14H28NO8P
Molecular Weight369.35 g/mol
Exact Mass369.16
IUPAC Name[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCP(=O)(COC(=O)OC(C)C)CO[C@H](C)CN
InChIInChI=1S/C14H28NO8P/c1-10(2)22-13(16)20-8-24(18,7-19-12(5)6-15)9-21-14(17)23-11(3)4/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1
InChIKeyLFSISVMDHRQJKC-GFCCVEGCSA-N
XLogP2.71
TPSA123.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid
CID 141337782
di(propan-2-yloxy)phosphorylmethyl propan-2-yl carbonate
CID 12810488
propan-2-yl (2S)-3-amino-2-methylpropanoate
CID 94542950
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
pentan-3-yloxymethyl propan-2-yl carbonate
CID 89141057
2-bromoethyl propan-2-yl carbonate
CID 103970527
methane;methoxymethyl propan-2-yl carbonate
CID 158647197
propan-2-yl 2,3-diaminopropanoate
CID 141295176
propan-2-yl (propan-2-ylamino)methyl carbonate
CID 59502371
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
ethyl 4-hydroxypentan-2-yl carbonate
CID 131742457
propan-2-yl 2-(2-propan-2-yloxycarbonyloxyethylsulfonyl)ethyl carbonate
CID 90011533

Frequently Asked Questions

What is the IUPAC name of [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate?
The IUPAC name of [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate (CID 141337783) is [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate.
What is the SMILES notation for [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate?
The canonical SMILES for [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate is CC(C)OC(=O)OCP(=O)(COC(=O)OC(C)C)CO[C@H](C)CN.
What is the InChIKey of [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate?
The InChIKey is LFSISVMDHRQJKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28NO8P/c1-10(2)22-13(16)20-8-24(18,7-19-12(5)6-15)9-21-14(17)23-11(3)4/h10-12H,6-9,15H2,1-5H3/t12-/m1/s1.
What are the key properties of [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate?
[[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate has a molecular weight of 369.35 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2R)-1-aminopropan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethyl)phosphoryl]methyl propan-2-yl carbonate is sourced from PubChem (CID 141337783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).