(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one

C10H14NO6P — CID 70224373

IUPAC(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one
SMILESO=C1C[C@H](C(=O)N2CCOCC2)[C@H](P2OCO2)O1
InChIInChI=1S/C10H14NO6P/c12-8-5-7(10(17-8)18-15-6-16-18)9(13)11-1-3-14-4-2-11/h7,10H,1-6H2/t7-,10+/m1/s1
InChIKeyNXLRDZGHMKEMSK-XCBNKYQSSA-N
MW275.20 g/mol
LogP0.05
Rot. Bonds2

About (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one

(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one (PubChem CID 70224373) has the molecular formula C10H14NO6P and a molecular weight of 275.20 g/mol. Its IUPAC name is (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one
PubChem CID70224373
Molecular FormulaC10H14NO6P
Molecular Weight275.20 g/mol
Exact Mass275.06
IUPAC Name(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one
SMILESO=C1C[C@H](C(=O)N2CCOCC2)[C@H](P2OCO2)O1
InChIInChI=1S/C10H14NO6P/c12-8-5-7(10(17-8)18-15-6-16-18)9(13)11-1-3-14-4-2-11/h7,10H,1-6H2/t7-,10+/m1/s1
InChIKeyNXLRDZGHMKEMSK-XCBNKYQSSA-N
XLogP0.05
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one?
The IUPAC name of (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one (CID 70224373) is (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one.
What is the SMILES notation for (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one?
The canonical SMILES for (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one is O=C1C[C@H](C(=O)N2CCOCC2)[C@H](P2OCO2)O1.
What is the InChIKey of (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one?
The InChIKey is NXLRDZGHMKEMSK-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H14NO6P/c12-8-5-7(10(17-8)18-15-6-16-18)9(13)11-1-3-14-4-2-11/h7,10H,1-6H2/t7-,10+/m1/s1.
What are the key properties of (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one?
(4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one has a molecular weight of 275.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(1,3,2-dioxaphosphetan-2-yl)-4-(morpholine-4-carbonyl)oxolan-2-one is sourced from PubChem (CID 70224373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).