ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate

C14H21O8P — CID 144766967

IUPACethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate
SMILESCC.O=C(OCOP(=O)(O)OCc1ccccc1)OC1COC1
InChIInChI=1S/C12H15O8P.C2H6/c13-12(20-11-7-16-8-11)17-9-19-21(14,15)18-6-10-4-2-1-3-5-10;1-2/h1-5,11H,6-9H2,(H,14,15);1-2H3
InChIKeyDRTHPCVLWKYTDO-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.86
Rot. Bonds7

About ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate

ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate (PubChem CID 144766967) has the molecular formula C14H21O8P and a molecular weight of 348.29 g/mol. Its IUPAC name is ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate.

Molecular Properties

Compound Nameethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate
PubChem CID144766967
Molecular FormulaC14H21O8P
Molecular Weight348.29 g/mol
Exact Mass348.10
IUPAC Nameethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate
SMILESCC.O=C(OCOP(=O)(O)OCc1ccccc1)OC1COC1
InChIInChI=1S/C12H15O8P.C2H6/c13-12(20-11-7-16-8-11)17-9-19-21(14,15)18-6-10-4-2-1-3-5-10;1-2/h1-5,11H,6-9H2,(H,14,15);1-2H3
InChIKeyDRTHPCVLWKYTDO-UHFFFAOYSA-N
XLogP2.86
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibenzyl hydrogen phosphate;silver
CID 85301331
[[5-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)-4-methyloxolan-2-yl]methoxy-phenylmethoxyphosphoryl]oxymethyl oxetan-3-yl carbonate
CID 123883629
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
benzyl tert-butyl hydrogen phosphate
CID 140989025
dibenzyl hydrogen phosphate;dibenzyl phosphate;bis(tetramethylazanium);hydroxide
CID 160798114
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
benzyl 7-methyloctyl hydrogen phosphate
CID 19374043
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
benzyl butyl hydrogen phosphate;phthalic acid
CID 174844496
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609

Frequently Asked Questions

What is the IUPAC name of ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate?
The IUPAC name of ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate (CID 144766967) is ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate.
What is the SMILES notation for ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate?
The canonical SMILES for ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate is CC.O=C(OCOP(=O)(O)OCc1ccccc1)OC1COC1.
What is the InChIKey of ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate?
The InChIKey is DRTHPCVLWKYTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O8P.C2H6/c13-12(20-11-7-16-8-11)17-9-19-21(14,15)18-6-10-4-2-1-3-5-10;1-2/h1-5,11H,6-9H2,(H,14,15);1-2H3.
What are the key properties of ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate?
ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate has a molecular weight of 348.29 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[hydroxy(phenylmethoxy)phosphoryl]oxymethyl oxetan-3-yl carbonate is sourced from PubChem (CID 144766967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).